4-benzhydryl-N-(2-hydroxyphenyl)piperazine-1-carboxamide

C24H25N3O2 — CID 108871381

IUPAC4-benzhydryl-N-(2-hydroxyphenyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccccc1O)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H25N3O2/c28-22-14-8-7-13-21(22)25-24(29)27-17-15-26(16-18-27)23(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-14,23,28H,15-18H2,(H,25,29)
InChIKeyNZHIYYHLCNFBFQ-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.33
Rot. Bonds4

About 4-benzhydryl-N-(2-hydroxyphenyl)piperazine-1-carboxamide

4-benzhydryl-N-(2-hydroxyphenyl)piperazine-1-carboxamide (PubChem CID 108871381) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 4-benzhydryl-N-(2-hydroxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-benzhydryl-N-(2-hydroxyphenyl)piperazine-1-carboxamide
PubChem CID108871381
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name4-benzhydryl-N-(2-hydroxyphenyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccccc1O)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H25N3O2/c28-22-14-8-7-13-21(22)25-24(29)27-17-15-26(16-18-27)23(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-14,23,28H,15-18H2,(H,25,29)
InChIKeyNZHIYYHLCNFBFQ-UHFFFAOYSA-N
XLogP4.33
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-benzhydryl-N-[4-[(4-benzhydrylpiperazine-1-carbonyl)amino]phenyl]piperazine-1-carboxamide
CID 43834011
4-benzhydryl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 2212510
N-(2-hydroxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 108871577
4-[(S)-(4-chlorophenyl)-phenylmethyl]-N-phenylpiperazine-1-carboxamide
CID 92767755
bis(4-benzhydrylpiperazin-1-yl)methanone
CID 17170426
4-benzhydryl-N-(2,4,6-trifluorophenyl)piperazine-1-carboxamide
CID 46100869
4-benzhydryl-N-(3,4-dichlorophenyl)piperazine-1-carboxamide
CID 1358692
N-(2-fluoro-5-methylphenyl)-4-[(R)-(4-methylphenyl)-phenylmethyl]piperazine-1-carboxamide
CID 92768345
N-(3-acetylphenyl)-4-benzhydrylpiperazine-1-carboxamide
CID 2955113
4-benzhydryl-N-(5-chloro-2-methoxyphenyl)piperazine-1-carboxamide
CID 2956120
4-[(R)-(4-chlorophenyl)-phenylmethyl]-N-(2-fluoro-5-methylphenyl)piperazine-1-carboxamide
CID 92768972
4-benzhydryl-N-(4-nitrophenyl)piperazine-1-carboxamide
CID 2933426

Frequently Asked Questions

What is the IUPAC name of 4-benzhydryl-N-(2-hydroxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-benzhydryl-N-(2-hydroxyphenyl)piperazine-1-carboxamide (CID 108871381) is 4-benzhydryl-N-(2-hydroxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-benzhydryl-N-(2-hydroxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-benzhydryl-N-(2-hydroxyphenyl)piperazine-1-carboxamide is O=C(Nc1ccccc1O)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 4-benzhydryl-N-(2-hydroxyphenyl)piperazine-1-carboxamide?
The InChIKey is NZHIYYHLCNFBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c28-22-14-8-7-13-21(22)25-24(29)27-17-15-26(16-18-27)23(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-14,23,28H,15-18H2,(H,25,29).
What are the key properties of 4-benzhydryl-N-(2-hydroxyphenyl)piperazine-1-carboxamide?
4-benzhydryl-N-(2-hydroxyphenyl)piperazine-1-carboxamide has a molecular weight of 387.48 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzhydryl-N-(2-hydroxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 108871381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).