1-(azetidin-3-yl)-3-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]propan-2-one;N,N-dimethyl-1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-amine;1-(4-ethylmorpholin-2-yl)-3-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]propan-2-one;1-morpholin-2-yl-3-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]propan-2-one;2-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine;1-propan-2-yl-4-(2-pyridin-3-ylethyl)piperidin-4-ol;1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-ol

C123H196N18O7 — CID 162248923

IUPAC1-(azetidin-3-yl)-3-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]propan-2-one;N,N-dimethyl-1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-amine;1-(4-ethylmorpholin-2-yl)-3-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]propan-2-one;1-morpholin-2-yl-3-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]propan-2-one;2-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine;1-propan-2-yl-4-(2-pyridin-3-ylethyl)piperidin-4-ol;1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-ol
SMILESCC(C)N1CCC(CC(=O)CC2CNC2)(Cc2ccccn2)CC1.CC(C)N1CCC(CC(=O)CC2CNCCO2)(Cc2ccccn2)CC1.CC(C)N1CCC(Cc2ccccn2)(N(C)C)CC1.CC(C)N1CCC(Cc2ccccn2)CC1.CC(C)N1CCC(O)(CCc2cccnc2)CC1.CC(C)N1CCC(O)(Cc2ccccn2)CC1.CCN1CCOC(CC(=O)CC2(Cc3ccccn3)CCN(C(C)C)CC2)C1
InChIInChI=1S/C23H37N3O2.C21H33N3O2.C20H31N3O.C16H27N3.C15H24N2O.C14H22N2O.C14H22N2/c1-4-25-13-14-28-22(18-25)15-21(27)17-23(16-20-7-5-6-10-24-20)8-11-26(12-9-23)19(2)3;1-17(2)24-10-6-21(7-11-24,14-18-5-3-4-8-23-18)15-19(25)13-20-16-22-9-12-26-20;1-16(2)23-9-6-20(7-10-23,12-18-5-3-4-8-22-18)13-19(24)11-17-14-21-15-17;1-14(2)19-11-8-16(9-12-19,18(3)4)13-15-7-5-6-10-17-15;1-13(2)17-10-7-15(18,8-11-17)6-5-14-4-3-9-16-12-14;1-12(2)16-9-6-14(17,7-10-16)11-13-5-3-4-8-15-13;1-12(2)16-9-6-13(7-10-16)11-14-5-3-4-8-15-14/h5-7,10,19,22H,4,8-9,11-18H2,1-3H3;3-5,8,17,20,22H,6-7,9-16H2,1-2H3;3-5,8,16-17,21H,6-7,9-15H2,1-2H3;5-7,10,14H,8-9,11-13H2,1-4H3;3-4,9,12-13,18H,5-8,10-11H2,1-2H3;3-5,8,12,17H,6-7,9-11H2,1-2H3;3-5,8,12-13H,6-7,9-11H2,1-2H3
InChIKeyZXSJNUBPQJPCGU-UHFFFAOYSA-N
MW2039.04 g/mol
LogP17.60
Rot. Bonds36

About 1-(azetidin-3-yl)-3-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]propan-2-one;N,N-dimethyl-1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-amine;1-(4-ethylmorpholin-2-yl)-3-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]propan-2-one;1-morpholin-2-yl-3-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]propan-2-one;2-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine;1-propan-2-yl-4-(2-pyridin-3-ylethyl)piperidin-4-ol;1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-ol

1-(azetidin-3-yl)-3-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]propan-2-one;N,N-dimethyl-1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-amine;1-(4-ethylmorpholin-2-yl)-3-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]propan-2-one;1-morpholin-2-yl-3-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]propan-2-one;2-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine;1-propan-2-yl-4-(2-pyridin-3-ylethyl)piperidin-4-ol;1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-ol (PubChem CID 162248923) has the molecular formula C123H196N18O7 and a molecular weight of 2039.04 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-3-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]propan-2-one;N,N-dimethyl-1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-amine;1-(4-ethylmorpholin-2-yl)-3-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]propan-2-one;1-morpholin-2-yl-3-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]propan-2-one;2-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine;1-propan-2-yl-4-(2-pyridin-3-ylethyl)piperidin-4-ol;1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(azetidin-3-yl)-3-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]propan-2-one;N,N-dimethyl-1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-amine;1-(4-ethylmorpholin-2-yl)-3-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]propan-2-one;1-morpholin-2-yl-3-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]propan-2-one;2-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine;1-propan-2-yl-4-(2-pyridin-3-ylethyl)piperidin-4-ol;1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-ol
PubChem CID162248923
Molecular FormulaC123H196N18O7
Molecular Weight2039.04 g/mol
Exact Mass2037.55
IUPAC Name1-(azetidin-3-yl)-3-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]propan-2-one;N,N-dimethyl-1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-amine;1-(4-ethylmorpholin-2-yl)-3-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]propan-2-one;1-morpholin-2-yl-3-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]propan-2-one;2-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine;1-propan-2-yl-4-(2-pyridin-3-ylethyl)piperidin-4-ol;1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-ol
SMILESCC(C)N1CCC(CC(=O)CC2CNC2)(Cc2ccccn2)CC1.CC(C)N1CCC(CC(=O)CC2CNCCO2)(Cc2ccccn2)CC1.CC(C)N1CCC(Cc2ccccn2)(N(C)C)CC1.CC(C)N1CCC(Cc2ccccn2)CC1.CC(C)N1CCC(O)(CCc2cccnc2)CC1.CC(C)N1CCC(O)(Cc2ccccn2)CC1.CCN1CCOC(CC(=O)CC2(Cc3ccccn3)CCN(C(C)C)CC2)C1
InChIInChI=1S/C23H37N3O2.C21H33N3O2.C20H31N3O.C16H27N3.C15H24N2O.C14H22N2O.C14H22N2/c1-4-25-13-14-28-22(18-25)15-21(27)17-23(16-20-7-5-6-10-24-20)8-11-26(12-9-23)19(2)3;1-17(2)24-10-6-21(7-11-24,14-18-5-3-4-8-23-18)15-19(25)13-20-16-22-9-12-26-20;1-16(2)23-9-6-20(7-10-23,12-18-5-3-4-8-22-18)13-19(24)11-17-14-21-15-17;1-14(2)19-11-8-16(9-12-19,18(3)4)13-15-7-5-6-10-17-15;1-13(2)17-10-7-15(18,8-11-17)6-5-14-4-3-9-16-12-14;1-12(2)16-9-6-14(17,7-10-16)11-13-5-3-4-8-15-13;1-12(2)16-9-6-13(7-10-16)11-14-5-3-4-8-15-14/h5-7,10,19,22H,4,8-9,11-18H2,1-3H3;3-5,8,17,20,22H,6-7,9-16H2,1-2H3;3-5,8,16-17,21H,6-7,9-15H2,1-2H3;5-7,10,14H,8-9,11-13H2,1-4H3;3-4,9,12-13,18H,5-8,10-11H2,1-2H3;3-5,8,12,17H,6-7,9-11H2,1-2H3;3-5,8,12-13H,6-7,9-11H2,1-2H3
InChIKeyZXSJNUBPQJPCGU-UHFFFAOYSA-N
XLogP17.60
TPSA253.58 Ų
H-Bond Donors4
H-Bond Acceptors25
Rotatable Bonds36
Heavy Atoms148
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002039.04
LogP ≤ 517.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1025

Analyze 1-(azetidin-3-yl)-3-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]propan-2-one;N,N-dimethyl-1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-amine;1-(4-ethylmorpholin-2-yl)-3-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]propan-2-one;1-morpholin-2-yl-3-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]propan-2-one;2-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine;1-propan-2-yl-4-(2-pyridin-3-ylethyl)piperidin-4-ol;1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-3-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]propan-2-one;N,N-dimethyl-1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-amine;1-(4-ethylmorpholin-2-yl)-3-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]propan-2-one;1-morpholin-2-yl-3-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]propan-2-one;2-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine;1-propan-2-yl-4-(2-pyridin-3-ylethyl)piperidin-4-ol;1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-ol?
The IUPAC name of 1-(azetidin-3-yl)-3-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]propan-2-one;N,N-dimethyl-1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-amine;1-(4-ethylmorpholin-2-yl)-3-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]propan-2-one;1-morpholin-2-yl-3-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]propan-2-one;2-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine;1-propan-2-yl-4-(2-pyridin-3-ylethyl)piperidin-4-ol;1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-ol (CID 162248923) is 1-(azetidin-3-yl)-3-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]propan-2-one;N,N-dimethyl-1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-amine;1-(4-ethylmorpholin-2-yl)-3-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]propan-2-one;1-morpholin-2-yl-3-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]propan-2-one;2-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine;1-propan-2-yl-4-(2-pyridin-3-ylethyl)piperidin-4-ol;1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-ol.
What is the SMILES notation for 1-(azetidin-3-yl)-3-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]propan-2-one;N,N-dimethyl-1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-amine;1-(4-ethylmorpholin-2-yl)-3-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]propan-2-one;1-morpholin-2-yl-3-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]propan-2-one;2-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine;1-propan-2-yl-4-(2-pyridin-3-ylethyl)piperidin-4-ol;1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-ol?
The canonical SMILES for 1-(azetidin-3-yl)-3-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]propan-2-one;N,N-dimethyl-1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-amine;1-(4-ethylmorpholin-2-yl)-3-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]propan-2-one;1-morpholin-2-yl-3-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]propan-2-one;2-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine;1-propan-2-yl-4-(2-pyridin-3-ylethyl)piperidin-4-ol;1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-ol is CC(C)N1CCC(CC(=O)CC2CNC2)(Cc2ccccn2)CC1.CC(C)N1CCC(CC(=O)CC2CNCCO2)(Cc2ccccn2)CC1.CC(C)N1CCC(Cc2ccccn2)(N(C)C)CC1.CC(C)N1CCC(Cc2ccccn2)CC1.CC(C)N1CCC(O)(CCc2cccnc2)CC1.CC(C)N1CCC(O)(Cc2ccccn2)CC1.CCN1CCOC(CC(=O)CC2(Cc3ccccn3)CCN(C(C)C)CC2)C1.
What is the InChIKey of 1-(azetidin-3-yl)-3-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]propan-2-one;N,N-dimethyl-1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-amine;1-(4-ethylmorpholin-2-yl)-3-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]propan-2-one;1-morpholin-2-yl-3-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]propan-2-one;2-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine;1-propan-2-yl-4-(2-pyridin-3-ylethyl)piperidin-4-ol;1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-ol?
The InChIKey is ZXSJNUBPQJPCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O2.C21H33N3O2.C20H31N3O.C16H27N3.C15H24N2O.C14H22N2O.C14H22N2/c1-4-25-13-14-28-22(18-25)15-21(27)17-23(16-20-7-5-6-10-24-20)8-11-26(12-9-23)19(2)3;1-17(2)24-10-6-21(7-11-24,14-18-5-3-4-8-23-18)15-19(25)13-20-16-22-9-12-26-20;1-16(2)23-9-6-20(7-10-23,12-18-5-3-4-8-22-18)13-19(24)11-17-14-21-15-17;1-14(2)19-11-8-16(9-12-19,18(3)4)13-15-7-5-6-10-17-15;1-13(2)17-10-7-15(18,8-11-17)6-5-14-4-3-9-16-12-14;1-12(2)16-9-6-14(17,7-10-16)11-13-5-3-4-8-15-13;1-12(2)16-9-6-13(7-10-16)11-14-5-3-4-8-15-14/h5-7,10,19,22H,4,8-9,11-18H2,1-3H3;3-5,8,17,20,22H,6-7,9-16H2,1-2H3;3-5,8,16-17,21H,6-7,9-15H2,1-2H3;5-7,10,14H,8-9,11-13H2,1-4H3;3-4,9,12-13,18H,5-8,10-11H2,1-2H3;3-5,8,12,17H,6-7,9-11H2,1-2H3;3-5,8,12-13H,6-7,9-11H2,1-2H3.
What are the key properties of 1-(azetidin-3-yl)-3-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]propan-2-one;N,N-dimethyl-1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-amine;1-(4-ethylmorpholin-2-yl)-3-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]propan-2-one;1-morpholin-2-yl-3-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]propan-2-one;2-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine;1-propan-2-yl-4-(2-pyridin-3-ylethyl)piperidin-4-ol;1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-ol?
1-(azetidin-3-yl)-3-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]propan-2-one;N,N-dimethyl-1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-amine;1-(4-ethylmorpholin-2-yl)-3-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]propan-2-one;1-morpholin-2-yl-3-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]propan-2-one;2-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine;1-propan-2-yl-4-(2-pyridin-3-ylethyl)piperidin-4-ol;1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-ol has a molecular weight of 2039.04 g/mol, XLogP of 17.60, 36 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-3-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]propan-2-one;N,N-dimethyl-1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-amine;1-(4-ethylmorpholin-2-yl)-3-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]propan-2-one;1-morpholin-2-yl-3-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]propan-2-one;2-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine;1-propan-2-yl-4-(2-pyridin-3-ylethyl)piperidin-4-ol;1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-ol is sourced from PubChem (CID 162248923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).