5-(4-benzylpiperazine-1-carbonyl)-N-(1-benzylpiperidin-4-yl)pyridine-2-carboxamide

C30H35N5O2 — CID 56650667

IUPAC5-(4-benzylpiperazine-1-carbonyl)-N-(1-benzylpiperidin-4-yl)pyridine-2-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)cn1
InChIInChI=1S/C30H35N5O2/c36-29(32-27-13-15-33(16-14-27)22-24-7-3-1-4-8-24)28-12-11-26(21-31-28)30(37)35-19-17-34(18-20-35)23-25-9-5-2-6-10-25/h1-12,21,27H,13-20,22-23H2,(H,32,36)
InChIKeyOQMKCTWXRSKXFX-UHFFFAOYSA-N
MW497.64 g/mol
LogP3.43
Rot. Bonds7

About 5-(4-benzylpiperazine-1-carbonyl)-N-(1-benzylpiperidin-4-yl)pyridine-2-carboxamide

5-(4-benzylpiperazine-1-carbonyl)-N-(1-benzylpiperidin-4-yl)pyridine-2-carboxamide (PubChem CID 56650667) has the molecular formula C30H35N5O2 and a molecular weight of 497.64 g/mol. Its IUPAC name is 5-(4-benzylpiperazine-1-carbonyl)-N-(1-benzylpiperidin-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(4-benzylpiperazine-1-carbonyl)-N-(1-benzylpiperidin-4-yl)pyridine-2-carboxamide
PubChem CID56650667
Molecular FormulaC30H35N5O2
Molecular Weight497.64 g/mol
Exact Mass497.28
IUPAC Name5-(4-benzylpiperazine-1-carbonyl)-N-(1-benzylpiperidin-4-yl)pyridine-2-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)cn1
InChIInChI=1S/C30H35N5O2/c36-29(32-27-13-15-33(16-14-27)22-24-7-3-1-4-8-24)28-12-11-26(21-31-28)30(37)35-19-17-34(18-20-35)23-25-9-5-2-6-10-25/h1-12,21,27H,13-20,22-23H2,(H,32,36)
InChIKeyOQMKCTWXRSKXFX-UHFFFAOYSA-N
XLogP3.43
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.64
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(4-benzylpiperazine-1-carbonyl)-2-pyridinyl]-2-(1-benzylpiperidin-4-yl)ethanone
CID 58073212
5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-[1-(1-phenylethyl)piperidin-4-yl]pyridine-2-carboxamide
CID 56652713
N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-(2-phenylpropan-2-yl)piperazine-1-carbonyl]pyridine-2-carboxamide
CID 66710761
2-N-(1-benzylpiperidin-4-yl)-5-N-(3-phenylphenyl)pyridine-2,5-dicarboxamide
CID 66710236
N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-(oxan-4-yl)piperazine-1-carbonyl]pyridine-2-carboxamide
CID 66710517
5-(4-benzylpiperazin-1-yl)-N-cyclopentylpyridine-2-carboxamide
CID 109182201
5-(4-benzylbenzoyl)-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide
CID 122486199
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]pyridine-2-carboxamide
CID 66710706
[4-[1-[6-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]carbamoyl]pyridine-3-carbonyl]piperidine-4-carbonyl]phenyl]methanesulfinic acid
CID 175280544
N-(1-benzylpiperidin-4-yl)-6-methylpyridine-2-carboxamide
CID 31926879
5-(4-benzylpiperazin-1-yl)-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide
CID 66710221
N-(1-benzylpiperidin-4-yl)-3,4-dichlorobenzamide
CID 17250317

Frequently Asked Questions

What is the IUPAC name of 5-(4-benzylpiperazine-1-carbonyl)-N-(1-benzylpiperidin-4-yl)pyridine-2-carboxamide?
The IUPAC name of 5-(4-benzylpiperazine-1-carbonyl)-N-(1-benzylpiperidin-4-yl)pyridine-2-carboxamide (CID 56650667) is 5-(4-benzylpiperazine-1-carbonyl)-N-(1-benzylpiperidin-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(4-benzylpiperazine-1-carbonyl)-N-(1-benzylpiperidin-4-yl)pyridine-2-carboxamide?
The canonical SMILES for 5-(4-benzylpiperazine-1-carbonyl)-N-(1-benzylpiperidin-4-yl)pyridine-2-carboxamide is O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)cn1.
What is the InChIKey of 5-(4-benzylpiperazine-1-carbonyl)-N-(1-benzylpiperidin-4-yl)pyridine-2-carboxamide?
The InChIKey is OQMKCTWXRSKXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N5O2/c36-29(32-27-13-15-33(16-14-27)22-24-7-3-1-4-8-24)28-12-11-26(21-31-28)30(37)35-19-17-34(18-20-35)23-25-9-5-2-6-10-25/h1-12,21,27H,13-20,22-23H2,(H,32,36).
What are the key properties of 5-(4-benzylpiperazine-1-carbonyl)-N-(1-benzylpiperidin-4-yl)pyridine-2-carboxamide?
5-(4-benzylpiperazine-1-carbonyl)-N-(1-benzylpiperidin-4-yl)pyridine-2-carboxamide has a molecular weight of 497.64 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzylpiperazine-1-carbonyl)-N-(1-benzylpiperidin-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 56650667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).