N-benzhydryl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carboxamide

C27H29N5O — CID 10694369

IUPACN-benzhydryl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carboxamide
SMILESCc1nc2cnccc2n1CC1CCN(C(=O)NC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C27H29N5O/c1-20-29-24-18-28-15-12-25(24)32(20)19-21-13-16-31(17-14-21)27(33)30-26(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-12,15,18,21,26H,13-14,16-17,19H2,1H3,(H,30,33)
InChIKeyRSDBILCJGKOLKM-UHFFFAOYSA-N
MW439.56 g/mol
LogP4.95
Rot. Bonds5

About N-benzhydryl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carboxamide

N-benzhydryl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carboxamide (PubChem CID 10694369) has the molecular formula C27H29N5O and a molecular weight of 439.56 g/mol. Its IUPAC name is N-benzhydryl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carboxamide
PubChem CID10694369
Molecular FormulaC27H29N5O
Molecular Weight439.56 g/mol
Exact Mass439.24
IUPAC NameN-benzhydryl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carboxamide
SMILESCc1nc2cnccc2n1CC1CCN(C(=O)NC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C27H29N5O/c1-20-29-24-18-28-15-12-25(24)32(20)19-21-13-16-31(17-14-21)27(33)30-26(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-12,15,18,21,26H,13-14,16-17,19H2,1H3,(H,30,33)
InChIKeyRSDBILCJGKOLKM-UHFFFAOYSA-N
XLogP4.95
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of N-benzhydryl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carboxamide (CID 10694369) is N-benzhydryl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-benzhydryl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for N-benzhydryl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carboxamide is Cc1nc2cnccc2n1CC1CCN(C(=O)NC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of N-benzhydryl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carboxamide?
The InChIKey is RSDBILCJGKOLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O/c1-20-29-24-18-28-15-12-25(24)32(20)19-21-13-16-31(17-14-21)27(33)30-26(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-12,15,18,21,26H,13-14,16-17,19H2,1H3,(H,30,33).
What are the key properties of N-benzhydryl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carboxamide?
N-benzhydryl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carboxamide has a molecular weight of 439.56 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 10694369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).