4-benzhydryl-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide

C24H26N4O — CID 86912557

IUPAC4-benzhydryl-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
SMILESO=C(NCc1ccncc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H26N4O/c29-24(26-19-20-11-13-25-14-12-20)28-17-15-27(16-18-28)23(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-14,23H,15-19H2,(H,26,29)
InChIKeyOQWWKOZMMXOVBM-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.70
Rot. Bonds5

About 4-benzhydryl-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide

4-benzhydryl-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide (PubChem CID 86912557) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is 4-benzhydryl-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-benzhydryl-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
PubChem CID86912557
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name4-benzhydryl-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
SMILESO=C(NCc1ccncc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H26N4O/c29-24(26-19-20-11-13-25-14-12-20)28-17-15-27(16-18-28)23(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-14,23H,15-19H2,(H,26,29)
InChIKeyOQWWKOZMMXOVBM-UHFFFAOYSA-N
XLogP3.70
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazine-1-carboxamide
CID 92767870
2-[4-(pyridin-4-ylmethylcarbamoyl)piperazin-1-yl]propanoic acid
CID 62310705
N-[(4-chlorophenyl)methyl]-4-[(S)-(4-fluorophenyl)-phenylmethyl]piperazine-1-carboxamide
CID 92768403
4-acetyl-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 110706314
4-benzhydryl-N-(3-hydroxy-2-oxopropyl)piperazine-1-carboxamide
CID 167594860
N-(pyridin-4-ylmethyl)azepane-1-carboxamide
CID 110706356
4-benzhydryl-N-(2-methylpropyl)piperazine-1-carboxamide
CID 108867265
4-benzhydryl-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 46100871
N-[(4-methylphenyl)methyl]-4-(1-phenylethyl)piperazine-1-carboxamide
CID 3505401
4-benzhydryl-N-[2-(4-bromophenyl)ethyl]piperazine-1-carboxamide
CID 108902253
4-benzhydryl-N-[4-[(4-benzhydrylpiperazine-1-carbonyl)amino]phenyl]piperazine-1-carboxamide
CID 43834011
4-(furan-2-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 110706346

Frequently Asked Questions

What is the IUPAC name of 4-benzhydryl-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of 4-benzhydryl-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide (CID 86912557) is 4-benzhydryl-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-benzhydryl-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-benzhydryl-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide is O=C(NCc1ccncc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 4-benzhydryl-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide?
The InChIKey is OQWWKOZMMXOVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c29-24(26-19-20-11-13-25-14-12-20)28-17-15-27(16-18-28)23(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-14,23H,15-19H2,(H,26,29).
What are the key properties of 4-benzhydryl-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide?
4-benzhydryl-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzhydryl-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 86912557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).