6-(4-benzylpiperazine-1-carbonyl)-N-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide

C30H35N5O2 — CID 58073477

IUPAC6-(4-benzylpiperazine-1-carbonyl)-N-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)nc1
InChIInChI=1S/C30H35N5O2/c36-29(32-27-13-15-33(16-14-27)22-24-7-3-1-4-8-24)26-11-12-28(31-21-26)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)
InChIKeyOOEKCGKFHYHSPV-UHFFFAOYSA-N
MW497.64 g/mol
LogP3.43
Rot. Bonds7

About 6-(4-benzylpiperazine-1-carbonyl)-N-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide

6-(4-benzylpiperazine-1-carbonyl)-N-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide (PubChem CID 58073477) has the molecular formula C30H35N5O2 and a molecular weight of 497.64 g/mol. Its IUPAC name is 6-(4-benzylpiperazine-1-carbonyl)-N-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-benzylpiperazine-1-carbonyl)-N-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide
PubChem CID58073477
Molecular FormulaC30H35N5O2
Molecular Weight497.64 g/mol
Exact Mass497.28
IUPAC Name6-(4-benzylpiperazine-1-carbonyl)-N-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)nc1
InChIInChI=1S/C30H35N5O2/c36-29(32-27-13-15-33(16-14-27)22-24-7-3-1-4-8-24)26-11-12-28(31-21-26)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)
InChIKeyOOEKCGKFHYHSPV-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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Frequently Asked Questions

What is the IUPAC name of 6-(4-benzylpiperazine-1-carbonyl)-N-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide?
The IUPAC name of 6-(4-benzylpiperazine-1-carbonyl)-N-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide (CID 58073477) is 6-(4-benzylpiperazine-1-carbonyl)-N-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-benzylpiperazine-1-carbonyl)-N-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-(4-benzylpiperazine-1-carbonyl)-N-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide is O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)nc1.
What is the InChIKey of 6-(4-benzylpiperazine-1-carbonyl)-N-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide?
The InChIKey is OOEKCGKFHYHSPV-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)26-11-12-28(31-21-26)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 6-(4-benzylpiperazine-1-carbonyl)-N-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide?
6-(4-benzylpiperazine-1-carbonyl)-N-(1-benzylpiperidin-4-yl)pyridine-3-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 6-(4-benzylpiperazine-1-carbonyl)-N-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 58073477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).