N-(1-benzylpiperidin-4-yl)-1-[2-(2-methylphenyl)pyridine-3-carbonyl]piperidine-4-carboxamide

C31H36N4O2 — CID 50832528

IUPACN-(1-benzylpiperidin-4-yl)-1-[2-(2-methylphenyl)pyridine-3-carbonyl]piperidine-4-carboxamide
SMILESCc1ccccc1-c1ncccc1C(=O)N1CCC(C(=O)NC2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C31H36N4O2/c1-23-8-5-6-11-27(23)29-28(12-7-17-32-29)31(37)35-20-13-25(14-21-35)30(36)33-26-15-18-34(19-16-26)22-24-9-3-2-4-10-24/h2-12,17,25-26H,13-16,18-22H2,1H3,(H,33,36)
InChIKeyCWLSLERXEKIYBS-UHFFFAOYSA-N
MW496.66 g/mol
LogP4.69
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-1-[2-(2-methylphenyl)pyridine-3-carbonyl]piperidine-4-carboxamide

N-(1-benzylpiperidin-4-yl)-1-[2-(2-methylphenyl)pyridine-3-carbonyl]piperidine-4-carboxamide (PubChem CID 50832528) has the molecular formula C31H36N4O2 and a molecular weight of 496.66 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-1-[2-(2-methylphenyl)pyridine-3-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-1-[2-(2-methylphenyl)pyridine-3-carbonyl]piperidine-4-carboxamide
PubChem CID50832528
Molecular FormulaC31H36N4O2
Molecular Weight496.66 g/mol
Exact Mass496.28
IUPAC NameN-(1-benzylpiperidin-4-yl)-1-[2-(2-methylphenyl)pyridine-3-carbonyl]piperidine-4-carboxamide
SMILESCc1ccccc1-c1ncccc1C(=O)N1CCC(C(=O)NC2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C31H36N4O2/c1-23-8-5-6-11-27(23)29-28(12-7-17-32-29)31(37)35-20-13-25(14-21-35)30(36)33-26-15-18-34(19-16-26)22-24-9-3-2-4-10-24/h2-12,17,25-26H,13-16,18-22H2,1H3,(H,33,36)
InChIKeyCWLSLERXEKIYBS-UHFFFAOYSA-N
XLogP4.69
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.66
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-1-[2-(2-methylphenyl)pyridine-3-carbonyl]piperidine-4-carboxamide
CID 46390267
1-acetyl-N-(1-benzylpiperidin-4-yl)piperidine-4-carboxamide
CID 108804424
azepan-1-yl-[1-[2-(2-methylphenyl)pyridine-3-carbonyl]piperidin-4-yl]methanone
CID 46390269
1-benzyl-N-cyclopentylpiperidine-4-carboxamide
CID 2186968
N-(1-benzylpiperidin-4-yl)cyclobutanecarboxamide
CID 2729529
N-[1-(2-methylbenzoyl)piperidin-4-yl]cyclobutanecarboxamide
CID 110820253
N-[1-(2-methylbenzoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 51096408
1-N-phenyl-4-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-1,4-dicarboxamide
CID 138041926
2-amino-N-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide
CID 110451976
1-(2-chlorobenzoyl)-N-cyclopentylpiperidine-4-carboxamide
CID 1072799
2-[4-(cyclopropanecarbonylamino)piperidine-1-carbonyl]benzoic acid
CID 113083284
N-(1-benzylpiperidin-4-yl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 20929263

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-1-[2-(2-methylphenyl)pyridine-3-carbonyl]piperidine-4-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-1-[2-(2-methylphenyl)pyridine-3-carbonyl]piperidine-4-carboxamide (CID 50832528) is N-(1-benzylpiperidin-4-yl)-1-[2-(2-methylphenyl)pyridine-3-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-1-[2-(2-methylphenyl)pyridine-3-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-1-[2-(2-methylphenyl)pyridine-3-carbonyl]piperidine-4-carboxamide is Cc1ccccc1-c1ncccc1C(=O)N1CCC(C(=O)NC2CCN(Cc3ccccc3)CC2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-1-[2-(2-methylphenyl)pyridine-3-carbonyl]piperidine-4-carboxamide?
The InChIKey is CWLSLERXEKIYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N4O2/c1-23-8-5-6-11-27(23)29-28(12-7-17-32-29)31(37)35-20-13-25(14-21-35)30(36)33-26-15-18-34(19-16-26)22-24-9-3-2-4-10-24/h2-12,17,25-26H,13-16,18-22H2,1H3,(H,33,36).
What are the key properties of N-(1-benzylpiperidin-4-yl)-1-[2-(2-methylphenyl)pyridine-3-carbonyl]piperidine-4-carboxamide?
N-(1-benzylpiperidin-4-yl)-1-[2-(2-methylphenyl)pyridine-3-carbonyl]piperidine-4-carboxamide has a molecular weight of 496.66 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-1-[2-(2-methylphenyl)pyridine-3-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 50832528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).