N-benzyl-6-(4-benzylpiperidin-1-yl)pyrimidine-4-carboxamide

C24H26N4O — CID 109346670

IUPACN-benzyl-6-(4-benzylpiperidin-1-yl)pyrimidine-4-carboxamide
SMILESO=C(NCc1ccccc1)c1cc(N2CCC(Cc3ccccc3)CC2)ncn1
InChIInChI=1S/C24H26N4O/c29-24(25-17-21-9-5-2-6-10-21)22-16-23(27-18-26-22)28-13-11-20(12-14-28)15-19-7-3-1-4-8-19/h1-10,16,18,20H,11-15,17H2,(H,25,29)
InChIKeyJENRGIPEVALRJE-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.87
Rot. Bonds6

About N-benzyl-6-(4-benzylpiperidin-1-yl)pyrimidine-4-carboxamide

N-benzyl-6-(4-benzylpiperidin-1-yl)pyrimidine-4-carboxamide (PubChem CID 109346670) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is N-benzyl-6-(4-benzylpiperidin-1-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-(4-benzylpiperidin-1-yl)pyrimidine-4-carboxamide
PubChem CID109346670
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC NameN-benzyl-6-(4-benzylpiperidin-1-yl)pyrimidine-4-carboxamide
SMILESO=C(NCc1ccccc1)c1cc(N2CCC(Cc3ccccc3)CC2)ncn1
InChIInChI=1S/C24H26N4O/c29-24(25-17-21-9-5-2-6-10-21)22-16-23(27-18-26-22)28-13-11-20(12-14-28)15-19-7-3-1-4-8-19/h1-10,16,18,20H,11-15,17H2,(H,25,29)
InChIKeyJENRGIPEVALRJE-UHFFFAOYSA-N
XLogP3.87
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109342168
6-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide
CID 121028384
N-[(4-methoxyphenyl)methyl]-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109342162
4-[6-(4-benzylpiperidine-1-carbonyl)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 109345607
2-(4-benzylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
CID 109171652
N-[(3-methylphenyl)methyl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109347173
N-benzyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91892456
2-(4-benzylpiperidin-1-yl)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109259132
6-(4-benzylpiperidin-1-yl)-N-(furan-2-ylmethyl)pyridazine-3-carboxamide
CID 71778620
(4-benzylpiperidin-1-yl)-[1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidin-4-yl]methanone
CID 90600251
6-(4-benzylpiperidin-1-yl)-N-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-ylmethyl)pyridazine-3-carboxamide
CID 121028581
6-(4-acetylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109345863

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(4-benzylpiperidin-1-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-6-(4-benzylpiperidin-1-yl)pyrimidine-4-carboxamide (CID 109346670) is N-benzyl-6-(4-benzylpiperidin-1-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-6-(4-benzylpiperidin-1-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-6-(4-benzylpiperidin-1-yl)pyrimidine-4-carboxamide is O=C(NCc1ccccc1)c1cc(N2CCC(Cc3ccccc3)CC2)ncn1.
What is the InChIKey of N-benzyl-6-(4-benzylpiperidin-1-yl)pyrimidine-4-carboxamide?
The InChIKey is JENRGIPEVALRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c29-24(25-17-21-9-5-2-6-10-21)22-16-23(27-18-26-22)28-13-11-20(12-14-28)15-19-7-3-1-4-8-19/h1-10,16,18,20H,11-15,17H2,(H,25,29).
What are the key properties of N-benzyl-6-(4-benzylpiperidin-1-yl)pyrimidine-4-carboxamide?
N-benzyl-6-(4-benzylpiperidin-1-yl)pyrimidine-4-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(4-benzylpiperidin-1-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109346670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).