(3S)-3-hydroxy-1-[(3-methylphenyl)methyl]-3-[(pyridin-3-ylmethylamino)methyl]piperidin-2-one

C20H25N3O2 — CID 42193572

IUPAC(3S)-3-hydroxy-1-[(3-methylphenyl)methyl]-3-[(pyridin-3-ylmethylamino)methyl]piperidin-2-one
SMILESCc1cccc(CN2CCC[C@](O)(CNCc3cccnc3)C2=O)c1
InChIInChI=1S/C20H25N3O2/c1-16-5-2-6-17(11-16)14-23-10-4-8-20(25,19(23)24)15-22-13-18-7-3-9-21-12-18/h2-3,5-7,9,11-12,22,25H,4,8,10,13-15H2,1H3/t20-/m0/s1
InChIKeyHLVGWKYCFXTSQT-FQEVSTJZSA-N
MW339.44 g/mol
LogP2.03
Rot. Bonds6

About (3S)-3-hydroxy-1-[(3-methylphenyl)methyl]-3-[(pyridin-3-ylmethylamino)methyl]piperidin-2-one

(3S)-3-hydroxy-1-[(3-methylphenyl)methyl]-3-[(pyridin-3-ylmethylamino)methyl]piperidin-2-one (PubChem CID 42193572) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is (3S)-3-hydroxy-1-[(3-methylphenyl)methyl]-3-[(pyridin-3-ylmethylamino)methyl]piperidin-2-one.

Molecular Properties

Compound Name(3S)-3-hydroxy-1-[(3-methylphenyl)methyl]-3-[(pyridin-3-ylmethylamino)methyl]piperidin-2-one
PubChem CID42193572
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name(3S)-3-hydroxy-1-[(3-methylphenyl)methyl]-3-[(pyridin-3-ylmethylamino)methyl]piperidin-2-one
SMILESCc1cccc(CN2CCC[C@](O)(CNCc3cccnc3)C2=O)c1
InChIInChI=1S/C20H25N3O2/c1-16-5-2-6-17(11-16)14-23-10-4-8-20(25,19(23)24)15-22-13-18-7-3-9-21-12-18/h2-3,5-7,9,11-12,22,25H,4,8,10,13-15H2,1H3/t20-/m0/s1
InChIKeyHLVGWKYCFXTSQT-FQEVSTJZSA-N
XLogP2.03
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-1-[(3-methylphenyl)methyl]-3-[[(6-methyl-2-pyridinyl)methylamino]methyl]piperidin-2-one
CID 45251257
(3R)-3-hydroxy-1-[(3-methylphenyl)methyl]-3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]piperidin-2-one
CID 25377362
(3R)-3-hydroxy-3-[[(5-methylfuran-2-yl)methylamino]methyl]-1-[(3-methylphenyl)methyl]piperidin-2-one
CID 42122047
(3S)-3-[[(2,5-difluorophenyl)methylamino]methyl]-3-hydroxy-1-[(3-methylphenyl)methyl]piperidin-2-one
CID 42528175
3-hydroxy-1-[(3-methylphenyl)methyl]-3-[(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethylamino)methyl]piperidin-2-one
CID 45251604
2-[[3-hydroxy-1-[(3-methylphenyl)methyl]-2-oxopiperidin-3-yl]methylamino]-N-methylethanesulfonamide
CID 56746440
(3S)-1-(2,2-dimethylpropyl)-3-hydroxy-3-[[(3-methylphenyl)methylamino]methyl]piperidin-2-one
CID 42310209
(3S)-1-(cyclohexylmethyl)-3-hydroxy-3-[(pyridin-3-ylmethylamino)methyl]piperidin-2-one
CID 42516603
(3R)-3-hydroxy-1-[(3-methylphenyl)methyl]-3-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]piperidin-2-one
CID 95202805
(3S)-3-[[(2,5-dimethylphenyl)methylamino]methyl]-3-hydroxy-1-[(3-methoxyphenyl)methyl]piperidin-2-one
CID 95213454
3-hydroxy-1-[(3-methylphenyl)methyl]-3-[(4-methylpiperazin-1-yl)methyl]piperidin-2-one
CID 45253289
(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-3-[(2-pyridin-3-ylethylamino)methyl]piperidin-2-one
CID 95220202

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-1-[(3-methylphenyl)methyl]-3-[(pyridin-3-ylmethylamino)methyl]piperidin-2-one?
The IUPAC name of (3S)-3-hydroxy-1-[(3-methylphenyl)methyl]-3-[(pyridin-3-ylmethylamino)methyl]piperidin-2-one (CID 42193572) is (3S)-3-hydroxy-1-[(3-methylphenyl)methyl]-3-[(pyridin-3-ylmethylamino)methyl]piperidin-2-one.
What is the SMILES notation for (3S)-3-hydroxy-1-[(3-methylphenyl)methyl]-3-[(pyridin-3-ylmethylamino)methyl]piperidin-2-one?
The canonical SMILES for (3S)-3-hydroxy-1-[(3-methylphenyl)methyl]-3-[(pyridin-3-ylmethylamino)methyl]piperidin-2-one is Cc1cccc(CN2CCC[C@](O)(CNCc3cccnc3)C2=O)c1.
What is the InChIKey of (3S)-3-hydroxy-1-[(3-methylphenyl)methyl]-3-[(pyridin-3-ylmethylamino)methyl]piperidin-2-one?
The InChIKey is HLVGWKYCFXTSQT-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-16-5-2-6-17(11-16)14-23-10-4-8-20(25,19(23)24)15-22-13-18-7-3-9-21-12-18/h2-3,5-7,9,11-12,22,25H,4,8,10,13-15H2,1H3/t20-/m0/s1.
What are the key properties of (3S)-3-hydroxy-1-[(3-methylphenyl)methyl]-3-[(pyridin-3-ylmethylamino)methyl]piperidin-2-one?
(3S)-3-hydroxy-1-[(3-methylphenyl)methyl]-3-[(pyridin-3-ylmethylamino)methyl]piperidin-2-one has a molecular weight of 339.44 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-1-[(3-methylphenyl)methyl]-3-[(pyridin-3-ylmethylamino)methyl]piperidin-2-one is sourced from PubChem (CID 42193572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).