1-methyl-5-[(3S)-3-[(4-methylphenyl)methyl]piperidine-1-carbonyl]pyridin-2-one

C20H24N2O2 — CID 95289755

IUPAC1-methyl-5-[(3S)-3-[(4-methylphenyl)methyl]piperidine-1-carbonyl]pyridin-2-one
SMILESCc1ccc(C[C@@H]2CCCN(C(=O)c3ccc(=O)n(C)c3)C2)cc1
InChIInChI=1S/C20H24N2O2/c1-15-5-7-16(8-6-15)12-17-4-3-11-22(13-17)20(24)18-9-10-19(23)21(2)14-18/h5-10,14,17H,3-4,11-13H2,1-2H3/t17-/m0/s1
InChIKeyAXTBGUWRSQODQE-KRWDZBQOSA-N
MW324.42 g/mol
LogP2.79
Rot. Bonds3

About 1-methyl-5-[(3S)-3-[(4-methylphenyl)methyl]piperidine-1-carbonyl]pyridin-2-one

1-methyl-5-[(3S)-3-[(4-methylphenyl)methyl]piperidine-1-carbonyl]pyridin-2-one (PubChem CID 95289755) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-methyl-5-[(3S)-3-[(4-methylphenyl)methyl]piperidine-1-carbonyl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-5-[(3S)-3-[(4-methylphenyl)methyl]piperidine-1-carbonyl]pyridin-2-one
PubChem CID95289755
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name1-methyl-5-[(3S)-3-[(4-methylphenyl)methyl]piperidine-1-carbonyl]pyridin-2-one
SMILESCc1ccc(C[C@@H]2CCCN(C(=O)c3ccc(=O)n(C)c3)C2)cc1
InChIInChI=1S/C20H24N2O2/c1-15-5-7-16(8-6-15)12-17-4-3-11-22(13-17)20(24)18-9-10-19(23)21(2)14-18/h5-10,14,17H,3-4,11-13H2,1-2H3/t17-/m0/s1
InChIKeyAXTBGUWRSQODQE-KRWDZBQOSA-N
XLogP2.79
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3S)-1-(1-methyl-6-oxopyridine-3-carbonyl)piperidin-3-yl]propanoic acid
CID 124697707
1,3-benzodioxol-5-yl-[(3S)-3-[(4-methylphenyl)methyl]piperidin-1-yl]methanone
CID 97005752
2-amino-1-[3-[(4-methylphenyl)methyl]piperidin-1-yl]ethanone
CID 166226482
1-methyl-5-[(4S)-4-methylazepane-1-carbonyl]pyridin-2-one
CID 95591235
(3S)-N-cyclopropyl-3-[(4-methylphenyl)methyl]piperidine-1-carboxamide
CID 94384032
[3-(methoxymethyl)piperidin-1-yl]-(4-methylphenyl)methanone
CID 90504931
2-[3-[(4-methylphenyl)methyl]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 166224707
1-methyl-5-[3-(6-methylpyrazin-2-yl)piperidine-1-carbonyl]pyridin-2-one
CID 110102509
ethane;1-methyl-3-[(4-methylphenyl)methyl]piperidine
CID 153329606
methyl N-[(2R)-4-methyl-1-[(3S)-3-[(4-methylphenyl)methyl]piperidin-1-yl]-1-oxopentan-2-yl]carbamate
CID 52805498
5-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 95767983
5-[(3R)-3-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 124974066

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(3S)-3-[(4-methylphenyl)methyl]piperidine-1-carbonyl]pyridin-2-one?
The IUPAC name of 1-methyl-5-[(3S)-3-[(4-methylphenyl)methyl]piperidine-1-carbonyl]pyridin-2-one (CID 95289755) is 1-methyl-5-[(3S)-3-[(4-methylphenyl)methyl]piperidine-1-carbonyl]pyridin-2-one.
What is the SMILES notation for 1-methyl-5-[(3S)-3-[(4-methylphenyl)methyl]piperidine-1-carbonyl]pyridin-2-one?
The canonical SMILES for 1-methyl-5-[(3S)-3-[(4-methylphenyl)methyl]piperidine-1-carbonyl]pyridin-2-one is Cc1ccc(C[C@@H]2CCCN(C(=O)c3ccc(=O)n(C)c3)C2)cc1.
What is the InChIKey of 1-methyl-5-[(3S)-3-[(4-methylphenyl)methyl]piperidine-1-carbonyl]pyridin-2-one?
The InChIKey is AXTBGUWRSQODQE-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-15-5-7-16(8-6-15)12-17-4-3-11-22(13-17)20(24)18-9-10-19(23)21(2)14-18/h5-10,14,17H,3-4,11-13H2,1-2H3/t17-/m0/s1.
What are the key properties of 1-methyl-5-[(3S)-3-[(4-methylphenyl)methyl]piperidine-1-carbonyl]pyridin-2-one?
1-methyl-5-[(3S)-3-[(4-methylphenyl)methyl]piperidine-1-carbonyl]pyridin-2-one has a molecular weight of 324.42 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(3S)-3-[(4-methylphenyl)methyl]piperidine-1-carbonyl]pyridin-2-one is sourced from PubChem (CID 95289755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).