5-(azetidin-1-ylmethyl)-1-(6-propan-2-yl-2-pyridinyl)piperidin-2-one;(5S)-5-(azetidin-1-ylmethyl)-1-(6-propan-2-yl-2-pyridinyl)piperidin-2-one;(5R)-5-(azetidin-1-ylmethyl)-1-(6-propan-2-yl-2-pyridinyl)piperidin-2-one;1-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]piperidin-3-ol;1-[3-fluoro-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]-N,N-dimethylmethanamine;1-[(3R)-3-fluoro-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]-N,N-dimethylmethanamine;1-[(3S)-3-fluoro-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]-N,N-dimethylmethanamine;1-methyl-3-[(3S)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]azetidin-3-ol

C132H207F3N24O5 — CID 157243098

IUPAC5-(azetidin-1-ylmethyl)-1-(6-propan-2-yl-2-pyridinyl)piperidin-2-one;(5S)-5-(azetidin-1-ylmethyl)-1-(6-propan-2-yl-2-pyridinyl)piperidin-2-one;(5R)-5-(azetidin-1-ylmethyl)-1-(6-propan-2-yl-2-pyridinyl)piperidin-2-one;1-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]piperidin-3-ol;1-[3-fluoro-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]-N,N-dimethylmethanamine;1-[(3R)-3-fluoro-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]-N,N-dimethylmethanamine;1-[(3S)-3-fluoro-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]-N,N-dimethylmethanamine;1-methyl-3-[(3S)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]azetidin-3-ol
SMILESCC(C)c1ccc(N2CCCC(F)(CN(C)C)C2)cn1.CC(C)c1ccc(N2CCCC(O)C2)c(CN(C)C)n1.CC(C)c1ccc(N2CCC[C@@](F)(CN(C)C)C2)cn1.CC(C)c1ccc(N2CCC[C@H](C3(O)CN(C)C3)C2)cn1.CC(C)c1ccc(N2CCC[C@](F)(CN(C)C)C2)cn1.CC(C)c1cccc(N2CC(CN3CCC3)CCC2=O)n1.CC(C)c1cccc(N2C[C@@H](CN3CCC3)CCC2=O)n1.CC(C)c1cccc(N2C[C@H](CN3CCC3)CCC2=O)n1
InChIInChI=1S/C17H27N3O.3C17H25N3O.3C16H26FN3.C16H27N3O/c1-13(2)16-7-6-15(9-18-16)20-8-4-5-14(10-20)17(21)11-19(3)12-17;3*1-13(2)15-5-3-6-16(18-15)20-12-14(7-8-17(20)21)11-19-9-4-10-19;3*1-13(2)15-7-6-14(10-18-15)20-9-5-8-16(17,12-20)11-19(3)4;1-12(2)14-7-8-16(15(17-14)11-18(3)4)19-9-5-6-13(20)10-19/h6-7,9,13-14,21H,4-5,8,10-12H2,1-3H3;3*3,5-6,13-14H,4,7-12H2,1-2H3;3*6-7,10,13H,5,8-9,11-12H2,1-4H3;7-8,12-13,20H,5-6,9-11H2,1-4H3/t3*14-;;2*16-;;/m010.10../s1
InChIKeyAVKYIJCPINCMDW-RMJBABQQSA-N
MW2267.26 g/mol
LogP21.51
Rot. Bonds31

About 5-(azetidin-1-ylmethyl)-1-(6-propan-2-yl-2-pyridinyl)piperidin-2-one;(5S)-5-(azetidin-1-ylmethyl)-1-(6-propan-2-yl-2-pyridinyl)piperidin-2-one;(5R)-5-(azetidin-1-ylmethyl)-1-(6-propan-2-yl-2-pyridinyl)piperidin-2-one;1-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]piperidin-3-ol;1-[3-fluoro-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]-N,N-dimethylmethanamine;1-[(3R)-3-fluoro-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]-N,N-dimethylmethanamine;1-[(3S)-3-fluoro-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]-N,N-dimethylmethanamine;1-methyl-3-[(3S)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]azetidin-3-ol

5-(azetidin-1-ylmethyl)-1-(6-propan-2-yl-2-pyridinyl)piperidin-2-one;(5S)-5-(azetidin-1-ylmethyl)-1-(6-propan-2-yl-2-pyridinyl)piperidin-2-one;(5R)-5-(azetidin-1-ylmethyl)-1-(6-propan-2-yl-2-pyridinyl)piperidin-2-one;1-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]piperidin-3-ol;1-[3-fluoro-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]-N,N-dimethylmethanamine;1-[(3R)-3-fluoro-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]-N,N-dimethylmethanamine;1-[(3S)-3-fluoro-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]-N,N-dimethylmethanamine;1-methyl-3-[(3S)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]azetidin-3-ol (PubChem CID 157243098) has the molecular formula C132H207F3N24O5 and a molecular weight of 2267.26 g/mol. Its IUPAC name is 5-(azetidin-1-ylmethyl)-1-(6-propan-2-yl-2-pyridinyl)piperidin-2-one;(5S)-5-(azetidin-1-ylmethyl)-1-(6-propan-2-yl-2-pyridinyl)piperidin-2-one;(5R)-5-(azetidin-1-ylmethyl)-1-(6-propan-2-yl-2-pyridinyl)piperidin-2-one;1-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]piperidin-3-ol;1-[3-fluoro-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]-N,N-dimethylmethanamine;1-[(3R)-3-fluoro-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]-N,N-dimethylmethanamine;1-[(3S)-3-fluoro-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]-N,N-dimethylmethanamine;1-methyl-3-[(3S)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]azetidin-3-ol.

Molecular Properties

Compound Name5-(azetidin-1-ylmethyl)-1-(6-propan-2-yl-2-pyridinyl)piperidin-2-one;(5S)-5-(azetidin-1-ylmethyl)-1-(6-propan-2-yl-2-pyridinyl)piperidin-2-one;(5R)-5-(azetidin-1-ylmethyl)-1-(6-propan-2-yl-2-pyridinyl)piperidin-2-one;1-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]piperidin-3-ol;1-[3-fluoro-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]-N,N-dimethylmethanamine;1-[(3R)-3-fluoro-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]-N,N-dimethylmethanamine;1-[(3S)-3-fluoro-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]-N,N-dimethylmethanamine;1-methyl-3-[(3S)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]azetidin-3-ol
PubChem CID157243098
Molecular FormulaC132H207F3N24O5
Molecular Weight2267.26 g/mol
Exact Mass2265.66
IUPAC Name5-(azetidin-1-ylmethyl)-1-(6-propan-2-yl-2-pyridinyl)piperidin-2-one;(5S)-5-(azetidin-1-ylmethyl)-1-(6-propan-2-yl-2-pyridinyl)piperidin-2-one;(5R)-5-(azetidin-1-ylmethyl)-1-(6-propan-2-yl-2-pyridinyl)piperidin-2-one;1-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]piperidin-3-ol;1-[3-fluoro-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]-N,N-dimethylmethanamine;1-[(3R)-3-fluoro-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]-N,N-dimethylmethanamine;1-[(3S)-3-fluoro-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]-N,N-dimethylmethanamine;1-methyl-3-[(3S)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]azetidin-3-ol
SMILESCC(C)c1ccc(N2CCCC(F)(CN(C)C)C2)cn1.CC(C)c1ccc(N2CCCC(O)C2)c(CN(C)C)n1.CC(C)c1ccc(N2CCC[C@@](F)(CN(C)C)C2)cn1.CC(C)c1ccc(N2CCC[C@H](C3(O)CN(C)C3)C2)cn1.CC(C)c1ccc(N2CCC[C@](F)(CN(C)C)C2)cn1.CC(C)c1cccc(N2CC(CN3CCC3)CCC2=O)n1.CC(C)c1cccc(N2C[C@@H](CN3CCC3)CCC2=O)n1.CC(C)c1cccc(N2C[C@H](CN3CCC3)CCC2=O)n1
InChIInChI=1S/C17H27N3O.3C17H25N3O.3C16H26FN3.C16H27N3O/c1-13(2)16-7-6-15(9-18-16)20-8-4-5-14(10-20)17(21)11-19(3)12-17;3*1-13(2)15-5-3-6-16(18-15)20-12-14(7-8-17(20)21)11-19-9-4-10-19;3*1-13(2)15-7-6-14(10-18-15)20-9-5-8-16(17,12-20)11-19(3)4;1-12(2)14-7-8-16(15(17-14)11-18(3)4)19-9-5-6-13(20)10-19/h6-7,9,13-14,21H,4-5,8,10-12H2,1-3H3;3*3,5-6,13-14H,4,7-12H2,1-2H3;3*6-7,10,13H,5,8-9,11-12H2,1-4H3;7-8,12-13,20H,5-6,9-11H2,1-4H3/t3*14-;;2*16-;;/m010.10../s1
InChIKeyAVKYIJCPINCMDW-RMJBABQQSA-N
XLogP21.51
TPSA246.63 Ų
H-Bond Donors2
H-Bond Acceptors26
Rotatable Bonds31
Heavy Atoms164
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002267.26
LogP ≤ 521.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1026

Analyze 5-(azetidin-1-ylmethyl)-1-(6-propan-2-yl-2-pyridinyl)piperidin-2-one;(5S)-5-(azetidin-1-ylmethyl)-1-(6-propan-2-yl-2-pyridinyl)piperidin-2-one;(5R)-5-(azetidin-1-ylmethyl)-1-(6-propan-2-yl-2-pyridinyl)piperidin-2-one;1-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]piperidin-3-ol;1-[3-fluoro-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]-N,N-dimethylmethanamine;1-[(3R)-3-fluoro-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]-N,N-dimethylmethanamine;1-[(3S)-3-fluoro-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]-N,N-dimethylmethanamine;1-methyl-3-[(3S)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]azetidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-1-ylmethyl)-1-(6-propan-2-yl-2-pyridinyl)piperidin-2-one;(5S)-5-(azetidin-1-ylmethyl)-1-(6-propan-2-yl-2-pyridinyl)piperidin-2-one;(5R)-5-(azetidin-1-ylmethyl)-1-(6-propan-2-yl-2-pyridinyl)piperidin-2-one;1-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]piperidin-3-ol;1-[3-fluoro-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]-N,N-dimethylmethanamine;1-[(3R)-3-fluoro-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]-N,N-dimethylmethanamine;1-[(3S)-3-fluoro-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]-N,N-dimethylmethanamine;1-methyl-3-[(3S)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]azetidin-3-ol?
The IUPAC name of 5-(azetidin-1-ylmethyl)-1-(6-propan-2-yl-2-pyridinyl)piperidin-2-one;(5S)-5-(azetidin-1-ylmethyl)-1-(6-propan-2-yl-2-pyridinyl)piperidin-2-one;(5R)-5-(azetidin-1-ylmethyl)-1-(6-propan-2-yl-2-pyridinyl)piperidin-2-one;1-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]piperidin-3-ol;1-[3-fluoro-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]-N,N-dimethylmethanamine;1-[(3R)-3-fluoro-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]-N,N-dimethylmethanamine;1-[(3S)-3-fluoro-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]-N,N-dimethylmethanamine;1-methyl-3-[(3S)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]azetidin-3-ol (CID 157243098) is 5-(azetidin-1-ylmethyl)-1-(6-propan-2-yl-2-pyridinyl)piperidin-2-one;(5S)-5-(azetidin-1-ylmethyl)-1-(6-propan-2-yl-2-pyridinyl)piperidin-2-one;(5R)-5-(azetidin-1-ylmethyl)-1-(6-propan-2-yl-2-pyridinyl)piperidin-2-one;1-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]piperidin-3-ol;1-[3-fluoro-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]-N,N-dimethylmethanamine;1-[(3R)-3-fluoro-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]-N,N-dimethylmethanamine;1-[(3S)-3-fluoro-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]-N,N-dimethylmethanamine;1-methyl-3-[(3S)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]azetidin-3-ol.
What is the SMILES notation for 5-(azetidin-1-ylmethyl)-1-(6-propan-2-yl-2-pyridinyl)piperidin-2-one;(5S)-5-(azetidin-1-ylmethyl)-1-(6-propan-2-yl-2-pyridinyl)piperidin-2-one;(5R)-5-(azetidin-1-ylmethyl)-1-(6-propan-2-yl-2-pyridinyl)piperidin-2-one;1-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]piperidin-3-ol;1-[3-fluoro-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]-N,N-dimethylmethanamine;1-[(3R)-3-fluoro-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]-N,N-dimethylmethanamine;1-[(3S)-3-fluoro-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]-N,N-dimethylmethanamine;1-methyl-3-[(3S)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]azetidin-3-ol?
The canonical SMILES for 5-(azetidin-1-ylmethyl)-1-(6-propan-2-yl-2-pyridinyl)piperidin-2-one;(5S)-5-(azetidin-1-ylmethyl)-1-(6-propan-2-yl-2-pyridinyl)piperidin-2-one;(5R)-5-(azetidin-1-ylmethyl)-1-(6-propan-2-yl-2-pyridinyl)piperidin-2-one;1-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]piperidin-3-ol;1-[3-fluoro-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]-N,N-dimethylmethanamine;1-[(3R)-3-fluoro-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]-N,N-dimethylmethanamine;1-[(3S)-3-fluoro-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]-N,N-dimethylmethanamine;1-methyl-3-[(3S)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]azetidin-3-ol is CC(C)c1ccc(N2CCCC(F)(CN(C)C)C2)cn1.CC(C)c1ccc(N2CCCC(O)C2)c(CN(C)C)n1.CC(C)c1ccc(N2CCC[C@@](F)(CN(C)C)C2)cn1.CC(C)c1ccc(N2CCC[C@H](C3(O)CN(C)C3)C2)cn1.CC(C)c1ccc(N2CCC[C@](F)(CN(C)C)C2)cn1.CC(C)c1cccc(N2CC(CN3CCC3)CCC2=O)n1.CC(C)c1cccc(N2C[C@@H](CN3CCC3)CCC2=O)n1.CC(C)c1cccc(N2C[C@H](CN3CCC3)CCC2=O)n1.
What is the InChIKey of 5-(azetidin-1-ylmethyl)-1-(6-propan-2-yl-2-pyridinyl)piperidin-2-one;(5S)-5-(azetidin-1-ylmethyl)-1-(6-propan-2-yl-2-pyridinyl)piperidin-2-one;(5R)-5-(azetidin-1-ylmethyl)-1-(6-propan-2-yl-2-pyridinyl)piperidin-2-one;1-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]piperidin-3-ol;1-[3-fluoro-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]-N,N-dimethylmethanamine;1-[(3R)-3-fluoro-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]-N,N-dimethylmethanamine;1-[(3S)-3-fluoro-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]-N,N-dimethylmethanamine;1-methyl-3-[(3S)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]azetidin-3-ol?
The InChIKey is AVKYIJCPINCMDW-RMJBABQQSA-N. The full InChI is InChI=1S/C17H27N3O.3C17H25N3O.3C16H26FN3.C16H27N3O/c1-13(2)16-7-6-15(9-18-16)20-8-4-5-14(10-20)17(21)11-19(3)12-17;3*1-13(2)15-5-3-6-16(18-15)20-12-14(7-8-17(20)21)11-19-9-4-10-19;3*1-13(2)15-7-6-14(10-18-15)20-9-5-8-16(17,12-20)11-19(3)4;1-12(2)14-7-8-16(15(17-14)11-18(3)4)19-9-5-6-13(20)10-19/h6-7,9,13-14,21H,4-5,8,10-12H2,1-3H3;3*3,5-6,13-14H,4,7-12H2,1-2H3;3*6-7,10,13H,5,8-9,11-12H2,1-4H3;7-8,12-13,20H,5-6,9-11H2,1-4H3/t3*14-;;2*16-;;/m010.10../s1.
What are the key properties of 5-(azetidin-1-ylmethyl)-1-(6-propan-2-yl-2-pyridinyl)piperidin-2-one;(5S)-5-(azetidin-1-ylmethyl)-1-(6-propan-2-yl-2-pyridinyl)piperidin-2-one;(5R)-5-(azetidin-1-ylmethyl)-1-(6-propan-2-yl-2-pyridinyl)piperidin-2-one;1-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]piperidin-3-ol;1-[3-fluoro-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]-N,N-dimethylmethanamine;1-[(3R)-3-fluoro-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]-N,N-dimethylmethanamine;1-[(3S)-3-fluoro-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]-N,N-dimethylmethanamine;1-methyl-3-[(3S)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]azetidin-3-ol?
5-(azetidin-1-ylmethyl)-1-(6-propan-2-yl-2-pyridinyl)piperidin-2-one;(5S)-5-(azetidin-1-ylmethyl)-1-(6-propan-2-yl-2-pyridinyl)piperidin-2-one;(5R)-5-(azetidin-1-ylmethyl)-1-(6-propan-2-yl-2-pyridinyl)piperidin-2-one;1-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]piperidin-3-ol;1-[3-fluoro-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]-N,N-dimethylmethanamine;1-[(3R)-3-fluoro-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]-N,N-dimethylmethanamine;1-[(3S)-3-fluoro-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]-N,N-dimethylmethanamine;1-methyl-3-[(3S)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]azetidin-3-ol has a molecular weight of 2267.26 g/mol, XLogP of 21.51, 31 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-1-ylmethyl)-1-(6-propan-2-yl-2-pyridinyl)piperidin-2-one;(5S)-5-(azetidin-1-ylmethyl)-1-(6-propan-2-yl-2-pyridinyl)piperidin-2-one;(5R)-5-(azetidin-1-ylmethyl)-1-(6-propan-2-yl-2-pyridinyl)piperidin-2-one;1-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]piperidin-3-ol;1-[3-fluoro-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]-N,N-dimethylmethanamine;1-[(3R)-3-fluoro-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]-N,N-dimethylmethanamine;1-[(3S)-3-fluoro-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]-N,N-dimethylmethanamine;1-methyl-3-[(3S)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]azetidin-3-ol is sourced from PubChem (CID 157243098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).