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

C16H24N4O3 — CID 97003239

IUPAC(3S)-3-acetamido-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]piperidine-1-carboxamide
SMILESCC(=O)N[C@H]1CCCN(C(=O)NCc2c(C)cc(C)[nH]c2=O)C1
InChIInChI=1S/C16H24N4O3/c1-10-7-11(2)18-15(22)14(10)8-17-16(23)20-6-4-5-13(9-20)19-12(3)21/h7,13H,4-6,8-9H2,1-3H3,(H,17,23)(H,18,22)(H,19,21)/t13-/m0/s1
InChIKeyBTTAPJBAFSNFFQ-ZDUSSCGKSA-N
MW320.39 g/mol
LogP0.80
Rot. Bonds3

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

(3S)-3-acetamido-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]piperidine-1-carboxamide (PubChem CID 97003239) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is (3S)-3-acetamido-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-acetamido-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]piperidine-1-carboxamide
PubChem CID97003239
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name(3S)-3-acetamido-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]piperidine-1-carboxamide
SMILESCC(=O)N[C@H]1CCCN(C(=O)NCc2c(C)cc(C)[nH]c2=O)C1
InChIInChI=1S/C16H24N4O3/c1-10-7-11(2)18-15(22)14(10)8-17-16(23)20-6-4-5-13(9-20)19-12(3)21/h7,13H,4-6,8-9H2,1-3H3,(H,17,23)(H,18,22)(H,19,21)/t13-/m0/s1
InChIKeyBTTAPJBAFSNFFQ-ZDUSSCGKSA-N
XLogP0.80
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-acetamido-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of (3S)-3-acetamido-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]piperidine-1-carboxamide (CID 97003239) is (3S)-3-acetamido-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-acetamido-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-acetamido-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]piperidine-1-carboxamide is CC(=O)N[C@H]1CCCN(C(=O)NCc2c(C)cc(C)[nH]c2=O)C1.
What is the InChIKey of (3S)-3-acetamido-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]piperidine-1-carboxamide?
The InChIKey is BTTAPJBAFSNFFQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-10-7-11(2)18-15(22)14(10)8-17-16(23)20-6-4-5-13(9-20)19-12(3)21/h7,13H,4-6,8-9H2,1-3H3,(H,17,23)(H,18,22)(H,19,21)/t13-/m0/s1.
What are the key properties of (3S)-3-acetamido-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]piperidine-1-carboxamide?
(3S)-3-acetamido-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]piperidine-1-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 0.80, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-acetamido-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 97003239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).