4-phenyl-1-pyrimidin-2-ylpiperidine-4-carboxamide

C16H18N4O — CID 22240919

IUPAC4-phenyl-1-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESNC(=O)C1(c2ccccc2)CCN(c2ncccn2)CC1
InChIInChI=1S/C16H18N4O/c17-14(21)16(13-5-2-1-3-6-13)7-11-20(12-8-16)15-18-9-4-10-19-15/h1-6,9-10H,7-8,11-12H2,(H2,17,21)
InChIKeyOBWKIKHJXYDJRW-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.50
Rot. Bonds3

About 4-phenyl-1-pyrimidin-2-ylpiperidine-4-carboxamide

4-phenyl-1-pyrimidin-2-ylpiperidine-4-carboxamide (PubChem CID 22240919) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 4-phenyl-1-pyrimidin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name4-phenyl-1-pyrimidin-2-ylpiperidine-4-carboxamide
PubChem CID22240919
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name4-phenyl-1-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESNC(=O)C1(c2ccccc2)CCN(c2ncccn2)CC1
InChIInChI=1S/C16H18N4O/c17-14(21)16(13-5-2-1-3-6-13)7-11-20(12-8-16)15-18-9-4-10-19-15/h1-6,9-10H,7-8,11-12H2,(H2,17,21)
InChIKeyOBWKIKHJXYDJRW-UHFFFAOYSA-N
XLogP1.50
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-phenyl-1-pyrimidin-2-ylpiperidine-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

1-phenylcyclopropane-1-carboxamide;hydrochloride
CID 57461944
1-phenylcyclopentane-1-carboxamide;dihydrochloride
CID 142770378
1-phenyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclopropane-1-carboxamide
CID 55992757
1-methyl-4-phenylazepane-4-carboxamide;hydrate
CID 158339828
4-carbamoyl-4-phenylcyclohexane-1-carboxylic acid
CID 115046067
3-phenyl-1-[4-phenyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 23600523
1-[1-[4-(2,4-dichlorophenyl)pyrimidin-2-yl]-4-phenylpiperidin-4-yl]ethanone
CID 171989085
benzyl 4-carbamoyl-4-phenylpiperidine-1-carboxylate
CID 118012720
1-(N'-methylsulfonylcarbamimidoyl)-4-phenylpiperidine-4-carboxamide
CID 68641506
1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-phenylpiperidine-4-carboxamide
CID 136568444
1-[(3-methyl-1,2-thiazol-5-yl)methyl]-4-phenylpiperidine-4-carboxamide
CID 136558589
N-deuterio-1-phenylcyclopropane-1-carboxamide
CID 175986247

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The IUPAC name of 4-phenyl-1-pyrimidin-2-ylpiperidine-4-carboxamide (CID 22240919) is 4-phenyl-1-pyrimidin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 4-phenyl-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 4-phenyl-1-pyrimidin-2-ylpiperidine-4-carboxamide is NC(=O)C1(c2ccccc2)CCN(c2ncccn2)CC1.
What is the InChIKey of 4-phenyl-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The InChIKey is OBWKIKHJXYDJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c17-14(21)16(13-5-2-1-3-6-13)7-11-20(12-8-16)15-18-9-4-10-19-15/h1-6,9-10H,7-8,11-12H2,(H2,17,21).
What are the key properties of 4-phenyl-1-pyrimidin-2-ylpiperidine-4-carboxamide?
4-phenyl-1-pyrimidin-2-ylpiperidine-4-carboxamide has a molecular weight of 282.35 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-pyrimidin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 22240919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).