N-(4-methylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide

C18H22N4O — CID 3223383

IUPACN-(4-methylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN(c3nccc(C)n3)C2)cc1
InChIInChI=1S/C18H22N4O/c1-13-5-7-16(8-6-13)21-17(23)15-4-3-11-22(12-15)18-19-10-9-14(2)20-18/h5-10,15H,3-4,11-12H2,1-2H3,(H,21,23)
InChIKeyCUPCCLNWDKHUFU-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.95
Rot. Bonds3

About N-(4-methylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide

N-(4-methylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide (PubChem CID 3223383) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-(4-methylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
PubChem CID3223383
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN-(4-methylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN(c3nccc(C)n3)C2)cc1
InChIInChI=1S/C18H22N4O/c1-13-5-7-16(8-6-13)21-17(23)15-4-3-11-22(12-15)18-19-10-9-14(2)20-18/h5-10,15H,3-4,11-12H2,1-2H3,(H,21,23)
InChIKeyCUPCCLNWDKHUFU-UHFFFAOYSA-N
XLogP2.95
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-methylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-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

N-(4-acetamidophenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 3223397
(3S)-N-(4-tert-butylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 1452724
N-(4-tert-butylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 3223412
(3S)-1-(4-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 1452732
(3S)-N-(3-chloro-4-methylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 1452692
N-(2,3-dihydro-1H-inden-5-yl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 23609722
1-(4-methylpyrimidin-2-yl)-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
CID 3223401
(3R)-N-(4-methylphenyl)-1-[5-(4-methylphenyl)pyrimidin-2-yl]piperidine-3-carboxamide
CID 95085613
(3S)-N-(4-methylphenyl)-1-[5-(4-methylphenyl)pyrimidin-2-yl]piperidine-3-carboxamide
CID 95085612
(3R)-N-tert-butyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 1452556
N-(2,3-dimethylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 3223387
(3R)-N-(4-acetamidophenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 7436254

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-(4-methylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide (CID 3223383) is N-(4-methylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide is Cc1ccc(NC(=O)C2CCCN(c3nccc(C)n3)C2)cc1.
What is the InChIKey of N-(4-methylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide?
The InChIKey is CUPCCLNWDKHUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-13-5-7-16(8-6-13)21-17(23)15-4-3-11-22(12-15)18-19-10-9-14(2)20-18/h5-10,15H,3-4,11-12H2,1-2H3,(H,21,23).
What are the key properties of N-(4-methylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide?
N-(4-methylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 3223383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).