1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]-2-methylpiperidine-2-carboxamide

C14H22N4O2 — CID 154752584

IUPAC1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]-2-methylpiperidine-2-carboxamide
SMILESCCc1cc(=O)[nH]c(CN2CCCCC2(C)C(N)=O)n1
InChIInChI=1S/C14H22N4O2/c1-3-10-8-12(19)17-11(16-10)9-18-7-5-4-6-14(18,2)13(15)20/h8H,3-7,9H2,1-2H3,(H2,15,20)(H,16,17,19)
InChIKeyGCLNHWJHWHIMCK-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.56
Rot. Bonds4

About 1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]-2-methylpiperidine-2-carboxamide

1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]-2-methylpiperidine-2-carboxamide (PubChem CID 154752584) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]-2-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]-2-methylpiperidine-2-carboxamide
PubChem CID154752584
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]-2-methylpiperidine-2-carboxamide
SMILESCCc1cc(=O)[nH]c(CN2CCCCC2(C)C(N)=O)n1
InChIInChI=1S/C14H22N4O2/c1-3-10-8-12(19)17-11(16-10)9-18-7-5-4-6-14(18,2)13(15)20/h8H,3-7,9H2,1-2H3,(H2,15,20)(H,16,17,19)
InChIKeyGCLNHWJHWHIMCK-UHFFFAOYSA-N
XLogP0.56
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diallyl-2-[3-(6-hydroxy-2-methylpyrimidin-4-yl)piperidin-1-yl]acetamide
CID 135988320
N-[2-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)ethyl]-1-piperidin-1-ylcyclohexanecarboxamide
CID 135990316
N,N-diallyl-2-[4-(6-hydroxy-2-methylpyrimidin-4-yl)piperidin-1-yl]acetamide
CID 136050331
N-[2-(6-hydroxy-2-methyl-4-pyrimidinyl)ethyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 136100529
2-(3-{[4-(6-Hydroxy-2-methyl-4-pyrimidinyl)-1-piperidinyl]carbonyl}-1-piperidinyl)acetamide
CID 136227427
2-methyl-4-(1-propanoylpiperidin-2-yl)-1H-pyrimidin-6-one
CID 136232147
2-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-1-yl]acetamide
CID 136232162
2-Methyl-6-(1-{[1-(1-pyrrolidinyl)cyclopentyl]carbonyl}-4-piperidinyl)-4-pyrimidinol
CID 136232458
2-Methyl-6-(1-{[1-(1-pyrrolidinyl)cyclopentyl]carbonyl}-3-piperidinyl)-4-pyrimidinol
CID 136254134
N-[1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]piperidin-3-yl]propanamide
CID 136514516
N-[2-(6-hydroxy-2-methylpyrimidin-4-yl)ethyl]-1-pyrrolidin-1-ylcyclohexanecarboxamide
CID 136665387
N-[(3S)-1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]piperidin-3-yl]propanamide
CID 136667316

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]-2-methylpiperidine-2-carboxamide?
The IUPAC name of 1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]-2-methylpiperidine-2-carboxamide (CID 154752584) is 1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]-2-methylpiperidine-2-carboxamide.
What is the SMILES notation for 1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]-2-methylpiperidine-2-carboxamide?
The canonical SMILES for 1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]-2-methylpiperidine-2-carboxamide is CCc1cc(=O)[nH]c(CN2CCCCC2(C)C(N)=O)n1.
What is the InChIKey of 1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]-2-methylpiperidine-2-carboxamide?
The InChIKey is GCLNHWJHWHIMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-3-10-8-12(19)17-11(16-10)9-18-7-5-4-6-14(18,2)13(15)20/h8H,3-7,9H2,1-2H3,(H2,15,20)(H,16,17,19).
What are the key properties of 1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]-2-methylpiperidine-2-carboxamide?
1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]-2-methylpiperidine-2-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]-2-methylpiperidine-2-carboxamide is sourced from PubChem (CID 154752584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).