N-benzyl-N-ethyl-2-(4-methylpiperidin-1-yl)-4-(1-phenylcyclopentyl)pyrimidine-5-carboxamide

C31H38N4O — CID 11518649

IUPACN-benzyl-N-ethyl-2-(4-methylpiperidin-1-yl)-4-(1-phenylcyclopentyl)pyrimidine-5-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cnc(N2CCC(C)CC2)nc1C1(c2ccccc2)CCCC1
InChIInChI=1S/C31H38N4O/c1-3-34(23-25-12-6-4-7-13-25)29(36)27-22-32-30(35-20-16-24(2)17-21-35)33-28(27)31(18-10-11-19-31)26-14-8-5-9-15-26/h4-9,12-15,22,24H,3,10-11,16-21,23H2,1-2H3
InChIKeyISJBXKDYAPWUJF-UHFFFAOYSA-N
MW482.67 g/mol
LogP6.24
Rot. Bonds7

About N-benzyl-N-ethyl-2-(4-methylpiperidin-1-yl)-4-(1-phenylcyclopentyl)pyrimidine-5-carboxamide

N-benzyl-N-ethyl-2-(4-methylpiperidin-1-yl)-4-(1-phenylcyclopentyl)pyrimidine-5-carboxamide (PubChem CID 11518649) has the molecular formula C31H38N4O and a molecular weight of 482.67 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2-(4-methylpiperidin-1-yl)-4-(1-phenylcyclopentyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2-(4-methylpiperidin-1-yl)-4-(1-phenylcyclopentyl)pyrimidine-5-carboxamide
PubChem CID11518649
Molecular FormulaC31H38N4O
Molecular Weight482.67 g/mol
Exact Mass482.30
IUPAC NameN-benzyl-N-ethyl-2-(4-methylpiperidin-1-yl)-4-(1-phenylcyclopentyl)pyrimidine-5-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cnc(N2CCC(C)CC2)nc1C1(c2ccccc2)CCCC1
InChIInChI=1S/C31H38N4O/c1-3-34(23-25-12-6-4-7-13-25)29(36)27-22-32-30(35-20-16-24(2)17-21-35)33-28(27)31(18-10-11-19-31)26-14-8-5-9-15-26/h4-9,12-15,22,24H,3,10-11,16-21,23H2,1-2H3
InChIKeyISJBXKDYAPWUJF-UHFFFAOYSA-N
XLogP6.24
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.67
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-ethyl-2-(3-methylpiperidin-1-yl)-4-(1-phenylcyclopropyl)pyrimidine-5-carboxamide
CID 11496205
N-benzyl-N-ethyl-4-[1-(4-fluorophenyl)cyclopentyl]-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 160560961
3,4-dihydro-1H-isoquinolin-2-yl-[2-(4-methylpiperidin-1-yl)-4-(1-phenylcyclopentyl)pyrimidin-5-yl]methanone
CID 11627131
N-methyl-4-(1-phenylcyclopentyl)-N-(2-phenylethyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 11648174
N-benzyl-4-ethyl-2-(4-methylpiperidin-1-yl)-6-(1-phenylcyclopentyl)pyrimidine-5-carboxamide
CID 91394765
N-[(2,4-difluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)-4-(1-phenylcyclopentyl)pyrimidine-5-carboxamide
CID 90910419
N-[(2,4-dichlorophenyl)methyl]-2-(4-methylpiperidin-1-yl)-4-(1-phenylcyclopentyl)pyrimidine-5-carboxamide
CID 11692158
N-cyclohexyl-N-ethyl-2-(4-methylpiperazin-1-yl)-4-(1-phenylcyclopropyl)pyrimidine-5-carboxamide
CID 11539625
N-benzyl-N-ethyl-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109364114
N-benzyl-N-ethyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250116
4-[1-(4-fluorophenyl)cyclopentyl]-N-methyl-N-(2-phenylethyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 161120554
4-[1-(4-chlorophenyl)cyclopentyl]-2-(4-methylpiperidin-1-yl)-N-(1-naphthalen-1-ylethyl)pyrimidine-5-carboxamide
CID 91310974

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2-(4-methylpiperidin-1-yl)-4-(1-phenylcyclopentyl)pyrimidine-5-carboxamide?
The IUPAC name of N-benzyl-N-ethyl-2-(4-methylpiperidin-1-yl)-4-(1-phenylcyclopentyl)pyrimidine-5-carboxamide (CID 11518649) is N-benzyl-N-ethyl-2-(4-methylpiperidin-1-yl)-4-(1-phenylcyclopentyl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-benzyl-N-ethyl-2-(4-methylpiperidin-1-yl)-4-(1-phenylcyclopentyl)pyrimidine-5-carboxamide?
The canonical SMILES for N-benzyl-N-ethyl-2-(4-methylpiperidin-1-yl)-4-(1-phenylcyclopentyl)pyrimidine-5-carboxamide is CCN(Cc1ccccc1)C(=O)c1cnc(N2CCC(C)CC2)nc1C1(c2ccccc2)CCCC1.
What is the InChIKey of N-benzyl-N-ethyl-2-(4-methylpiperidin-1-yl)-4-(1-phenylcyclopentyl)pyrimidine-5-carboxamide?
The InChIKey is ISJBXKDYAPWUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38N4O/c1-3-34(23-25-12-6-4-7-13-25)29(36)27-22-32-30(35-20-16-24(2)17-21-35)33-28(27)31(18-10-11-19-31)26-14-8-5-9-15-26/h4-9,12-15,22,24H,3,10-11,16-21,23H2,1-2H3.
What are the key properties of N-benzyl-N-ethyl-2-(4-methylpiperidin-1-yl)-4-(1-phenylcyclopentyl)pyrimidine-5-carboxamide?
N-benzyl-N-ethyl-2-(4-methylpiperidin-1-yl)-4-(1-phenylcyclopentyl)pyrimidine-5-carboxamide has a molecular weight of 482.67 g/mol, XLogP of 6.24, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-2-(4-methylpiperidin-1-yl)-4-(1-phenylcyclopentyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 11518649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).