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;1-methyl-3-[1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]azetidin-3-ol;1-methyl-3-[(3R)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]azetidin-3-ol;1-methyl-3-[(3S)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]azetidin-3-ol;4-[1-(6-propan-2-yl-3-pyridinyl)piperidin-4-yl]morpholine;4-[(3S)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]morpholine;4-[(3R)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]morpholine

C136H212N24O8 — CID 159557059

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;1-methyl-3-[1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]azetidin-3-ol;1-methyl-3-[(3R)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]azetidin-3-ol;1-methyl-3-[(3S)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]azetidin-3-ol;4-[1-(6-propan-2-yl-3-pyridinyl)piperidin-4-yl]morpholine;4-[(3S)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]morpholine;4-[(3R)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]morpholine
SMILESCC(C)c1ccc(N2CCC(N3CCOCC3)CC2)cn1.CC(C)c1ccc(N2CCCC(C3(O)CN(C)C3)C2)cn1.CC(C)c1ccc(N2CCC[C@@H](C3(O)CN(C)C3)C2)cn1.CC(C)c1ccc(N2CCC[C@@H](N3CCOCC3)C2)cn1.CC(C)c1ccc(N2CCC[C@H](C3(O)CN(C)C3)C2)cn1.CC(C)c1ccc(N2CCC[C@H](N3CCOCC3)C2)cn1.CC(C)c1cccc(N2CC(CN3CCC3)CCC2=O)n1.CC(C)c1cccc(N2C[C@H](CN3CCC3)CCC2=O)n1
InChIInChI=1S/3C17H27N3O.2C17H25N3O.3C17H27N3O/c3*1-13(2)16-7-6-15(9-18-16)20-8-4-5-14(10-20)17(21)11-19(3)12-17;2*1-13(2)15-5-3-6-16(18-15)20-12-14(7-8-17(20)21)11-19-9-4-10-19;1-14(2)17-4-3-16(13-18-17)19-7-5-15(6-8-19)20-9-11-21-12-10-20;2*1-14(2)17-6-5-15(12-18-17)20-7-3-4-16(13-20)19-8-10-21-11-9-19/h3*6-7,9,13-14,21H,4-5,8,10-12H2,1-3H3;2*3,5-6,13-14H,4,7-12H2,1-2H3;3-4,13-15H,5-12H2,1-2H3;2*5-6,12,14,16H,3-4,7-11,13H2,1-2H3/t2*14-;;14-;;;2*16-/m10.0..10/s1
InChIKeyMGCZGNYZYQLCPV-FRQLZUGHSA-N
MW2311.35 g/mol
LogP19.12
Rot. Bonds26

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;1-methyl-3-[1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]azetidin-3-ol;1-methyl-3-[(3R)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]azetidin-3-ol;1-methyl-3-[(3S)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]azetidin-3-ol;4-[1-(6-propan-2-yl-3-pyridinyl)piperidin-4-yl]morpholine;4-[(3S)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]morpholine;4-[(3R)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]morpholine

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;1-methyl-3-[1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]azetidin-3-ol;1-methyl-3-[(3R)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]azetidin-3-ol;1-methyl-3-[(3S)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]azetidin-3-ol;4-[1-(6-propan-2-yl-3-pyridinyl)piperidin-4-yl]morpholine;4-[(3S)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]morpholine;4-[(3R)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]morpholine (PubChem CID 159557059) has the molecular formula C136H212N24O8 and a molecular weight of 2311.35 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;1-methyl-3-[1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]azetidin-3-ol;1-methyl-3-[(3R)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]azetidin-3-ol;1-methyl-3-[(3S)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]azetidin-3-ol;4-[1-(6-propan-2-yl-3-pyridinyl)piperidin-4-yl]morpholine;4-[(3S)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]morpholine;4-[(3R)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]morpholine.

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;1-methyl-3-[1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]azetidin-3-ol;1-methyl-3-[(3R)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]azetidin-3-ol;1-methyl-3-[(3S)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]azetidin-3-ol;4-[1-(6-propan-2-yl-3-pyridinyl)piperidin-4-yl]morpholine;4-[(3S)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]morpholine;4-[(3R)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]morpholine
PubChem CID159557059
Molecular FormulaC136H212N24O8
Molecular Weight2311.35 g/mol
Exact Mass2309.69
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;1-methyl-3-[1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]azetidin-3-ol;1-methyl-3-[(3R)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]azetidin-3-ol;1-methyl-3-[(3S)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]azetidin-3-ol;4-[1-(6-propan-2-yl-3-pyridinyl)piperidin-4-yl]morpholine;4-[(3S)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]morpholine;4-[(3R)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]morpholine
SMILESCC(C)c1ccc(N2CCC(N3CCOCC3)CC2)cn1.CC(C)c1ccc(N2CCCC(C3(O)CN(C)C3)C2)cn1.CC(C)c1ccc(N2CCC[C@@H](C3(O)CN(C)C3)C2)cn1.CC(C)c1ccc(N2CCC[C@@H](N3CCOCC3)C2)cn1.CC(C)c1ccc(N2CCC[C@H](C3(O)CN(C)C3)C2)cn1.CC(C)c1ccc(N2CCC[C@H](N3CCOCC3)C2)cn1.CC(C)c1cccc(N2CC(CN3CCC3)CCC2=O)n1.CC(C)c1cccc(N2C[C@H](CN3CCC3)CCC2=O)n1
InChIInChI=1S/3C17H27N3O.2C17H25N3O.3C17H27N3O/c3*1-13(2)16-7-6-15(9-18-16)20-8-4-5-14(10-20)17(21)11-19(3)12-17;2*1-13(2)15-5-3-6-16(18-15)20-12-14(7-8-17(20)21)11-19-9-4-10-19;1-14(2)17-4-3-16(13-18-17)19-7-5-15(6-8-19)20-9-11-21-12-10-20;2*1-14(2)17-6-5-15(12-18-17)20-7-3-4-16(13-20)19-8-10-21-11-9-19/h3*6-7,9,13-14,21H,4-5,8,10-12H2,1-3H3;2*3,5-6,13-14H,4,7-12H2,1-2H3;3-4,13-15H,5-12H2,1-2H3;2*5-6,12,14,16H,3-4,7-11,13H2,1-2H3/t2*14-;;14-;;;2*16-/m10.0..10/s1
InChIKeyMGCZGNYZYQLCPV-FRQLZUGHSA-N
XLogP19.12
TPSA277.48 Ų
H-Bond Donors3
H-Bond Acceptors30
Rotatable Bonds26
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002311.35
LogP ≤ 519.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1030

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;1-methyl-3-[1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]azetidin-3-ol;1-methyl-3-[(3R)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]azetidin-3-ol;1-methyl-3-[(3S)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]azetidin-3-ol;4-[1-(6-propan-2-yl-3-pyridinyl)piperidin-4-yl]morpholine;4-[(3S)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]morpholine;4-[(3R)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]morpholine with MolForge

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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;1-methyl-3-[1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]azetidin-3-ol;1-methyl-3-[(3R)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]azetidin-3-ol;1-methyl-3-[(3S)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]azetidin-3-ol;4-[1-(6-propan-2-yl-3-pyridinyl)piperidin-4-yl]morpholine;4-[(3S)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]morpholine;4-[(3R)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]morpholine?
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;1-methyl-3-[1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]azetidin-3-ol;1-methyl-3-[(3R)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]azetidin-3-ol;1-methyl-3-[(3S)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]azetidin-3-ol;4-[1-(6-propan-2-yl-3-pyridinyl)piperidin-4-yl]morpholine;4-[(3S)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]morpholine;4-[(3R)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]morpholine (CID 159557059) 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;1-methyl-3-[1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]azetidin-3-ol;1-methyl-3-[(3R)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]azetidin-3-ol;1-methyl-3-[(3S)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]azetidin-3-ol;4-[1-(6-propan-2-yl-3-pyridinyl)piperidin-4-yl]morpholine;4-[(3S)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]morpholine;4-[(3R)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]morpholine.
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;1-methyl-3-[1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]azetidin-3-ol;1-methyl-3-[(3R)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]azetidin-3-ol;1-methyl-3-[(3S)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]azetidin-3-ol;4-[1-(6-propan-2-yl-3-pyridinyl)piperidin-4-yl]morpholine;4-[(3S)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]morpholine;4-[(3R)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]morpholine?
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;1-methyl-3-[1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]azetidin-3-ol;1-methyl-3-[(3R)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]azetidin-3-ol;1-methyl-3-[(3S)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]azetidin-3-ol;4-[1-(6-propan-2-yl-3-pyridinyl)piperidin-4-yl]morpholine;4-[(3S)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]morpholine;4-[(3R)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]morpholine is CC(C)c1ccc(N2CCC(N3CCOCC3)CC2)cn1.CC(C)c1ccc(N2CCCC(C3(O)CN(C)C3)C2)cn1.CC(C)c1ccc(N2CCC[C@@H](C3(O)CN(C)C3)C2)cn1.CC(C)c1ccc(N2CCC[C@@H](N3CCOCC3)C2)cn1.CC(C)c1ccc(N2CCC[C@H](C3(O)CN(C)C3)C2)cn1.CC(C)c1ccc(N2CCC[C@H](N3CCOCC3)C2)cn1.CC(C)c1cccc(N2CC(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;1-methyl-3-[1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]azetidin-3-ol;1-methyl-3-[(3R)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]azetidin-3-ol;1-methyl-3-[(3S)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]azetidin-3-ol;4-[1-(6-propan-2-yl-3-pyridinyl)piperidin-4-yl]morpholine;4-[(3S)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]morpholine;4-[(3R)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]morpholine?
The InChIKey is MGCZGNYZYQLCPV-FRQLZUGHSA-N. The full InChI is InChI=1S/3C17H27N3O.2C17H25N3O.3C17H27N3O/c3*1-13(2)16-7-6-15(9-18-16)20-8-4-5-14(10-20)17(21)11-19(3)12-17;2*1-13(2)15-5-3-6-16(18-15)20-12-14(7-8-17(20)21)11-19-9-4-10-19;1-14(2)17-4-3-16(13-18-17)19-7-5-15(6-8-19)20-9-11-21-12-10-20;2*1-14(2)17-6-5-15(12-18-17)20-7-3-4-16(13-20)19-8-10-21-11-9-19/h3*6-7,9,13-14,21H,4-5,8,10-12H2,1-3H3;2*3,5-6,13-14H,4,7-12H2,1-2H3;3-4,13-15H,5-12H2,1-2H3;2*5-6,12,14,16H,3-4,7-11,13H2,1-2H3/t2*14-;;14-;;;2*16-/m10.0..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;1-methyl-3-[1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]azetidin-3-ol;1-methyl-3-[(3R)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]azetidin-3-ol;1-methyl-3-[(3S)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]azetidin-3-ol;4-[1-(6-propan-2-yl-3-pyridinyl)piperidin-4-yl]morpholine;4-[(3S)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]morpholine;4-[(3R)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]morpholine?
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;1-methyl-3-[1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]azetidin-3-ol;1-methyl-3-[(3R)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]azetidin-3-ol;1-methyl-3-[(3S)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]azetidin-3-ol;4-[1-(6-propan-2-yl-3-pyridinyl)piperidin-4-yl]morpholine;4-[(3S)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]morpholine;4-[(3R)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]morpholine has a molecular weight of 2311.35 g/mol, XLogP of 19.12, 26 rotatable bonds, 3 hydrogen bond donors, and 30 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;1-methyl-3-[1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]azetidin-3-ol;1-methyl-3-[(3R)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]azetidin-3-ol;1-methyl-3-[(3S)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]azetidin-3-ol;4-[1-(6-propan-2-yl-3-pyridinyl)piperidin-4-yl]morpholine;4-[(3S)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]morpholine;4-[(3R)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]morpholine is sourced from PubChem (CID 159557059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).