(3S)-1-(cyclohexylmethyl)-N-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl]-6-oxopiperidine-3-carboxamide

C19H28N4O4 — CID 97143169

IUPAC(3S)-1-(cyclohexylmethyl)-N-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl]-6-oxopiperidine-3-carboxamide
SMILESO=C(NCCc1c[nH]c(=O)[nH]c1=O)[C@H]1CCC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C19H28N4O4/c24-16-7-6-15(12-23(16)11-13-4-2-1-3-5-13)17(25)20-9-8-14-10-21-19(27)22-18(14)26/h10,13,15H,1-9,11-12H2,(H,20,25)(H2,21,22,26,27)/t15-/m0/s1
InChIKeyRRBPJOKWJYHXCG-HNNXBMFYSA-N
MW376.46 g/mol
LogP0.54
Rot. Bonds6

About (3S)-1-(cyclohexylmethyl)-N-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl]-6-oxopiperidine-3-carboxamide

(3S)-1-(cyclohexylmethyl)-N-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl]-6-oxopiperidine-3-carboxamide (PubChem CID 97143169) has the molecular formula C19H28N4O4 and a molecular weight of 376.46 g/mol. Its IUPAC name is (3S)-1-(cyclohexylmethyl)-N-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(cyclohexylmethyl)-N-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl]-6-oxopiperidine-3-carboxamide
PubChem CID97143169
Molecular FormulaC19H28N4O4
Molecular Weight376.46 g/mol
Exact Mass376.21
IUPAC Name(3S)-1-(cyclohexylmethyl)-N-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl]-6-oxopiperidine-3-carboxamide
SMILESO=C(NCCc1c[nH]c(=O)[nH]c1=O)[C@H]1CCC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C19H28N4O4/c24-16-7-6-15(12-23(16)11-13-4-2-1-3-5-13)17(25)20-9-8-14-10-21-19(27)22-18(14)26/h10,13,15H,1-9,11-12H2,(H,20,25)(H2,21,22,26,27)/t15-/m0/s1
InChIKeyRRBPJOKWJYHXCG-HNNXBMFYSA-N
XLogP0.54
TPSA115.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (3S)-1-(cyclohexylmethyl)-N-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl]-6-oxopiperidine-3-carboxamide with MolForge

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Related Compounds

(3R)-1-(cyclohexylmethyl)-N-[2-(4-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide
CID 42591687
(3S)-1-(2-amino-2-oxoethyl)-N-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl]piperidine-3-carboxamide
CID 97139794
1-(cyclohexylmethyl)-6-oxo-N-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide
CID 45188915
(3S)-1-(cyclohexylmethyl)-6-oxo-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide
CID 25454472
1-(cyclohexylmethyl)-6-oxo-N-[(5-oxo-1,4-dihydropyrazol-3-yl)methyl]piperidine-3-carboxamide
CID 162153722
1-(cyclohexylmethyl)-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxopiperidine-3-carboxamide
CID 45201964
(3R)-N-[(3-chlorophenyl)methyl]-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide
CID 26330034
1-(cyclohexylmethyl)-N-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-6-oxopiperidine-3-carboxamide
CID 45189845
1-(cyclohexylmethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 24817829
(3S)-1-(cyclohexylmethyl)-6-oxo-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 25379201
(3R)-N-[2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)ethyl]-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide
CID 125177723
1-(cyclohexylmethyl)-6-oxo-N-[(1-propan-2-ylimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 72914179

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(cyclohexylmethyl)-N-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of (3S)-1-(cyclohexylmethyl)-N-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl]-6-oxopiperidine-3-carboxamide (CID 97143169) is (3S)-1-(cyclohexylmethyl)-N-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(cyclohexylmethyl)-N-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(cyclohexylmethyl)-N-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl]-6-oxopiperidine-3-carboxamide is O=C(NCCc1c[nH]c(=O)[nH]c1=O)[C@H]1CCC(=O)N(CC2CCCCC2)C1.
What is the InChIKey of (3S)-1-(cyclohexylmethyl)-N-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is RRBPJOKWJYHXCG-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H28N4O4/c24-16-7-6-15(12-23(16)11-13-4-2-1-3-5-13)17(25)20-9-8-14-10-21-19(27)22-18(14)26/h10,13,15H,1-9,11-12H2,(H,20,25)(H2,21,22,26,27)/t15-/m0/s1.
What are the key properties of (3S)-1-(cyclohexylmethyl)-N-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl]-6-oxopiperidine-3-carboxamide?
(3S)-1-(cyclohexylmethyl)-N-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 0.54, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(cyclohexylmethyl)-N-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 97143169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).