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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).