5-(4-benzylpiperidine-1-carbonyl)-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide

C32H35N5O2 — CID 66710287

IUPAC5-(4-benzylpiperidine-1-carbonyl)-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide
SMILESN#Cc1ccc(CN2CCC(NC(=O)c3ccc(C(=O)N4CCC(Cc5ccccc5)CC4)cn3)CC2)cc1
InChIInChI=1S/C32H35N5O2/c33-21-26-6-8-27(9-7-26)23-36-16-14-29(15-17-36)35-31(38)30-11-10-28(22-34-30)32(39)37-18-12-25(13-19-37)20-24-4-2-1-3-5-24/h1-11,22,25,29H,12-20,23H2,(H,35,38)
InChIKeyUHPFGVZAKOCMFD-UHFFFAOYSA-N
MW521.67 g/mol
LogP4.44
Rot. Bonds7

About 5-(4-benzylpiperidine-1-carbonyl)-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide

5-(4-benzylpiperidine-1-carbonyl)-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide (PubChem CID 66710287) has the molecular formula C32H35N5O2 and a molecular weight of 521.67 g/mol. Its IUPAC name is 5-(4-benzylpiperidine-1-carbonyl)-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(4-benzylpiperidine-1-carbonyl)-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide
PubChem CID66710287
Molecular FormulaC32H35N5O2
Molecular Weight521.67 g/mol
Exact Mass521.28
IUPAC Name5-(4-benzylpiperidine-1-carbonyl)-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide
SMILESN#Cc1ccc(CN2CCC(NC(=O)c3ccc(C(=O)N4CCC(Cc5ccccc5)CC4)cn3)CC2)cc1
InChIInChI=1S/C32H35N5O2/c33-21-26-6-8-27(9-7-26)23-36-16-14-29(15-17-36)35-31(38)30-11-10-28(22-34-30)32(39)37-18-12-25(13-19-37)20-24-4-2-1-3-5-24/h1-11,22,25,29H,12-20,23H2,(H,35,38)
InChIKeyUHPFGVZAKOCMFD-UHFFFAOYSA-N
XLogP4.44
TPSA89.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.67
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-benzylpiperidine-1-carbonyl)-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide?
The IUPAC name of 5-(4-benzylpiperidine-1-carbonyl)-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide (CID 66710287) is 5-(4-benzylpiperidine-1-carbonyl)-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(4-benzylpiperidine-1-carbonyl)-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-(4-benzylpiperidine-1-carbonyl)-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide is N#Cc1ccc(CN2CCC(NC(=O)c3ccc(C(=O)N4CCC(Cc5ccccc5)CC4)cn3)CC2)cc1.
What is the InChIKey of 5-(4-benzylpiperidine-1-carbonyl)-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide?
The InChIKey is UHPFGVZAKOCMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N5O2/c33-21-26-6-8-27(9-7-26)23-36-16-14-29(15-17-36)35-31(38)30-11-10-28(22-34-30)32(39)37-18-12-25(13-19-37)20-24-4-2-1-3-5-24/h1-11,22,25,29H,12-20,23H2,(H,35,38).
What are the key properties of 5-(4-benzylpiperidine-1-carbonyl)-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide?
5-(4-benzylpiperidine-1-carbonyl)-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide has a molecular weight of 521.67 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzylpiperidine-1-carbonyl)-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 66710287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).