2-(4-benzylpiperidin-1-yl)-N-(4-methylphenyl)pyrimidine-5-carboxamide

C24H26N4O — CID 109264116

IUPAC2-(4-benzylpiperidin-1-yl)-N-(4-methylphenyl)pyrimidine-5-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(N3CCC(Cc4ccccc4)CC3)nc2)cc1
InChIInChI=1S/C24H26N4O/c1-18-7-9-22(10-8-18)27-23(29)21-16-25-24(26-17-21)28-13-11-20(12-14-28)15-19-5-3-2-4-6-19/h2-10,16-17,20H,11-15H2,1H3,(H,27,29)
InChIKeyMOIBRNNWRQDJFV-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.50
Rot. Bonds5

About 2-(4-benzylpiperidin-1-yl)-N-(4-methylphenyl)pyrimidine-5-carboxamide

2-(4-benzylpiperidin-1-yl)-N-(4-methylphenyl)pyrimidine-5-carboxamide (PubChem CID 109264116) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-N-(4-methylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-N-(4-methylphenyl)pyrimidine-5-carboxamide
PubChem CID109264116
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name2-(4-benzylpiperidin-1-yl)-N-(4-methylphenyl)pyrimidine-5-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(N3CCC(Cc4ccccc4)CC3)nc2)cc1
InChIInChI=1S/C24H26N4O/c1-18-7-9-22(10-8-18)27-23(29)21-16-25-24(26-17-21)28-13-11-20(12-14-28)15-19-5-3-2-4-6-19/h2-10,16-17,20H,11-15H2,1H3,(H,27,29)
InChIKeyMOIBRNNWRQDJFV-UHFFFAOYSA-N
XLogP4.50
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-benzylpiperidin-1-yl)-N-cyclopentylpyrimidine-5-carboxamide
CID 109249597
2-(4-benzylpiperidin-1-yl)-N-prop-2-enylpyrimidine-5-carboxamide
CID 109247732
2-(4-benzylpiperidin-1-yl)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide
CID 109252740
2-(4-benzylpiperidin-1-yl)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109259132
6-(4-benzylpiperidin-1-yl)-N-(4-cyanophenyl)pyridine-3-carboxamide
CID 109161603
azepan-1-yl-[2-(4-benzylpiperidin-1-yl)pyrimidin-5-yl]methanone
CID 109264112
N-(4-ethylphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109250918
[2-(4-benzylpiperidin-1-yl)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 109264110
N-(4-phenylmethoxyphenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250239
N-phenyl-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109261157
5-[(4-benzylpiperidin-1-yl)methyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 112810299
N-(4-methylphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide
CID 53107320

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-(4-methylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-(4-methylphenyl)pyrimidine-5-carboxamide (CID 109264116) is 2-(4-benzylpiperidin-1-yl)-N-(4-methylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-N-(4-methylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-N-(4-methylphenyl)pyrimidine-5-carboxamide is Cc1ccc(NC(=O)c2cnc(N3CCC(Cc4ccccc4)CC3)nc2)cc1.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-N-(4-methylphenyl)pyrimidine-5-carboxamide?
The InChIKey is MOIBRNNWRQDJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-18-7-9-22(10-8-18)27-23(29)21-16-25-24(26-17-21)28-13-11-20(12-14-28)15-19-5-3-2-4-6-19/h2-10,16-17,20H,11-15H2,1H3,(H,27,29).
What are the key properties of 2-(4-benzylpiperidin-1-yl)-N-(4-methylphenyl)pyrimidine-5-carboxamide?
2-(4-benzylpiperidin-1-yl)-N-(4-methylphenyl)pyrimidine-5-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-1-yl)-N-(4-methylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109264116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).