N-(4-ethylphenyl)-1-[2-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide

C25H28N4O — CID 53078051

IUPACN-(4-ethylphenyl)-1-[2-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCCc1ccc(NC(=O)C2CCN(c3ccnc(-c4ccc(C)cc4)n3)CC2)cc1
InChIInChI=1S/C25H28N4O/c1-3-19-6-10-22(11-7-19)27-25(30)21-13-16-29(17-14-21)23-12-15-26-24(28-23)20-8-4-18(2)5-9-20/h4-12,15,21H,3,13-14,16-17H2,1-2H3,(H,27,30)
InChIKeyIKVBJHKLTODSGS-UHFFFAOYSA-N
MW400.53 g/mol
LogP4.87
Rot. Bonds5

About N-(4-ethylphenyl)-1-[2-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide

N-(4-ethylphenyl)-1-[2-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide (PubChem CID 53078051) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is N-(4-ethylphenyl)-1-[2-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-1-[2-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
PubChem CID53078051
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC NameN-(4-ethylphenyl)-1-[2-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCCc1ccc(NC(=O)C2CCN(c3ccnc(-c4ccc(C)cc4)n3)CC2)cc1
InChIInChI=1S/C25H28N4O/c1-3-19-6-10-22(11-7-19)27-25(30)21-13-16-29(17-14-21)23-12-15-26-24(28-23)20-8-4-18(2)5-9-20/h4-12,15,21H,3,13-14,16-17H2,1-2H3,(H,27,30)
InChIKeyIKVBJHKLTODSGS-UHFFFAOYSA-N
XLogP4.87
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethoxyphenyl)-1-[2-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53078059
N-butan-2-yl-1-[2-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53006937
N-(4-ethylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 3223112
1-[2-(4-fluorophenyl)pyrimidin-4-yl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide
CID 53078017
N-(4-ethylphenyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide
CID 113006644
N-(3,4-dimethoxyphenyl)-1-(2-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53078117
1-[2-(4-fluorophenyl)pyrimidin-4-yl]-N-(2-methylphenyl)piperidine-4-carboxamide
CID 53078012
(3R)-N-(4-butylphenyl)-1-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 95069805
N-(3,5-dimethoxyphenyl)-1-[2-(2-methyl-4-pyridinyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 89464821
N-(4-methylphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide
CID 53107320
N-(4-ethylphenyl)-1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carboxamide
CID 46395494
1-[2-(4-fluorophenyl)pyrimidin-4-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 53078019

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-1-[2-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-1-[2-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide (CID 53078051) is N-(4-ethylphenyl)-1-[2-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-1-[2-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-1-[2-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide is CCc1ccc(NC(=O)C2CCN(c3ccnc(-c4ccc(C)cc4)n3)CC2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-1-[2-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The InChIKey is IKVBJHKLTODSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O/c1-3-19-6-10-22(11-7-19)27-25(30)21-13-16-29(17-14-21)23-12-15-26-24(28-23)20-8-4-18(2)5-9-20/h4-12,15,21H,3,13-14,16-17H2,1-2H3,(H,27,30).
What are the key properties of N-(4-ethylphenyl)-1-[2-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide?
N-(4-ethylphenyl)-1-[2-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide has a molecular weight of 400.53 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-1-[2-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 53078051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).