(3S)-1-[2-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)acetyl]piperidine-3-carboxamide

C15H21N3O3 — CID 172675174

IUPAC(3S)-1-[2-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)acetyl]piperidine-3-carboxamide
SMILESCc1cc(C)c(CC(=O)N2CCC[C@H](C(N)=O)C2)c(=O)[nH]1
InChIInChI=1S/C15H21N3O3/c1-9-6-10(2)17-15(21)12(9)7-13(19)18-5-3-4-11(8-18)14(16)20/h6,11H,3-5,7-8H2,1-2H3,(H2,16,20)(H,17,21)/t11-/m0/s1
InChIKeyBAOPJNLBCKGSSV-NSHDSACASA-N
MW291.35 g/mol
LogP0.26
Rot. Bonds3

About (3S)-1-[2-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)acetyl]piperidine-3-carboxamide

(3S)-1-[2-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)acetyl]piperidine-3-carboxamide (PubChem CID 172675174) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is (3S)-1-[2-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[2-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)acetyl]piperidine-3-carboxamide
PubChem CID172675174
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name(3S)-1-[2-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)acetyl]piperidine-3-carboxamide
SMILESCc1cc(C)c(CC(=O)N2CCC[C@H](C(N)=O)C2)c(=O)[nH]1
InChIInChI=1S/C15H21N3O3/c1-9-6-10(2)17-15(21)12(9)7-13(19)18-5-3-4-11(8-18)14(16)20/h6,11H,3-5,7-8H2,1-2H3,(H2,16,20)(H,17,21)/t11-/m0/s1
InChIKeyBAOPJNLBCKGSSV-NSHDSACASA-N
XLogP0.26
TPSA96.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[2-(2-ethylphenyl)acetyl]piperidine-3-carboxamide
CID 172675194
(3S)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidine-3-carboxamide
CID 94486409
1-[2-(4-tert-butyl-2,6-dimethylphenyl)acetyl]piperidine-4-carboxamide
CID 110769588
(3S)-1-[2-(3,4-dichlorophenyl)acetyl]piperidine-3-carboxamide
CID 94164959
methyl 3-(3-carbamoylpiperidin-1-yl)-3-oxopropanoate
CID 134069304
1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide
CID 43397905
5-[2-[(3R)-3-benzoylpiperidin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136757579
5-[2-[(3S)-3-benzoylpiperidin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136757578
[2-[(3R)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 3,5-dimethylbenzoate
CID 9229141
(3S)-3-acetamido-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]piperidine-1-carboxamide
CID 97003239
1-[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]piperidine-3-carboxamide
CID 78784822
1-[2-(2,5-dimethylanilino)acetyl]piperidine-3-carboxamide
CID 78821595

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)acetyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[2-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)acetyl]piperidine-3-carboxamide (CID 172675174) is (3S)-1-[2-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)acetyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[2-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)acetyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[2-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)acetyl]piperidine-3-carboxamide is Cc1cc(C)c(CC(=O)N2CCC[C@H](C(N)=O)C2)c(=O)[nH]1.
What is the InChIKey of (3S)-1-[2-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)acetyl]piperidine-3-carboxamide?
The InChIKey is BAOPJNLBCKGSSV-NSHDSACASA-N. The full InChI is InChI=1S/C15H21N3O3/c1-9-6-10(2)17-15(21)12(9)7-13(19)18-5-3-4-11(8-18)14(16)20/h6,11H,3-5,7-8H2,1-2H3,(H2,16,20)(H,17,21)/t11-/m0/s1.
What are the key properties of (3S)-1-[2-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)acetyl]piperidine-3-carboxamide?
(3S)-1-[2-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)acetyl]piperidine-3-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 172675174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).