(3R)-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide

C16H24N4O3 — CID 137157339

IUPAC(3R)-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide
SMILESCc1cc(=O)[nH]c(CNC(=O)[C@@H]2CCC(=O)N(CC(C)C)C2)n1
InChIInChI=1S/C16H24N4O3/c1-10(2)8-20-9-12(4-5-15(20)22)16(23)17-7-13-18-11(3)6-14(21)19-13/h6,10,12H,4-5,7-9H2,1-3H3,(H,17,23)(H,18,19,21)/t12-/m1/s1
InChIKeyUPGUGWHJSPFWTP-GFCCVEGCSA-N
MW320.39 g/mol
LogP0.59
Rot. Bonds5

About (3R)-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide

(3R)-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide (PubChem CID 137157339) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is (3R)-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide
PubChem CID137157339
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name(3R)-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide
SMILESCc1cc(=O)[nH]c(CNC(=O)[C@@H]2CCC(=O)N(CC(C)C)C2)n1
InChIInChI=1S/C16H24N4O3/c1-10(2)8-20-9-12(4-5-15(20)22)16(23)17-7-13-18-11(3)6-14(21)19-13/h6,10,12H,4-5,7-9H2,1-3H3,(H,17,23)(H,18,19,21)/t12-/m1/s1
InChIKeyUPGUGWHJSPFWTP-GFCCVEGCSA-N
XLogP0.59
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide
CID 118782726
(3S)-1-(2-methylpropyl)-6-oxo-N-[2-(1H-pyrazol-5-yl)ethyl]piperidine-3-carboxamide
CID 125175125
(3R)-1-(2-methylpropyl)-6-oxo-N-[3-(2H-tetrazol-5-yl)propyl]piperidine-3-carboxamide
CID 126450610
(3S)-1-(cyclohexylmethyl)-N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 42098252
(3R)-N-[2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)ethyl]-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide
CID 125177723
(3R)-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 95140980
(3S)-N-(1H-imidazol-2-ylmethyl)-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 97126009
(3S)-N-[(5-methyl-2H-indazol-3-yl)methyl]-6-oxo-1-propylpiperidine-3-carboxamide
CID 125177350
1-(cyclohexylmethyl)-6-oxo-N-[(1-propan-2-ylimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 72914179
(3S)-6-oxo-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1-(2-phenylethyl)piperidine-3-carboxamide
CID 136748649
(3R)-1-[(3-methoxyphenyl)methyl]-6-oxo-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide
CID 136748664
(3S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 94068245

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide (CID 137157339) is (3R)-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide is Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CCC(=O)N(CC(C)C)C2)n1.
What is the InChIKey of (3R)-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is UPGUGWHJSPFWTP-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-10(2)8-20-9-12(4-5-15(20)22)16(23)17-7-13-18-11(3)6-14(21)19-13/h6,10,12H,4-5,7-9H2,1-3H3,(H,17,23)(H,18,19,21)/t12-/m1/s1.
What are the key properties of (3R)-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide?
(3R)-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 137157339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).