N-(3-acetylphenyl)-4-benzhydrylpiperazine-1-carboxamide

C26H27N3O2 — CID 2955113

IUPACN-(3-acetylphenyl)-4-benzhydrylpiperazine-1-carboxamide
SMILESCC(=O)c1cccc(NC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1
InChIInChI=1S/C26H27N3O2/c1-20(30)23-13-8-14-24(19-23)27-26(31)29-17-15-28(16-18-29)25(21-9-4-2-5-10-21)22-11-6-3-7-12-22/h2-14,19,25H,15-18H2,1H3,(H,27,31)
InChIKeyQKEZHKFXFGJGHO-UHFFFAOYSA-N
MW413.52 g/mol
LogP4.83
Rot. Bonds5

About N-(3-acetylphenyl)-4-benzhydrylpiperazine-1-carboxamide

N-(3-acetylphenyl)-4-benzhydrylpiperazine-1-carboxamide (PubChem CID 2955113) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is N-(3-acetylphenyl)-4-benzhydrylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-4-benzhydrylpiperazine-1-carboxamide
PubChem CID2955113
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC NameN-(3-acetylphenyl)-4-benzhydrylpiperazine-1-carboxamide
SMILESCC(=O)c1cccc(NC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1
InChIInChI=1S/C26H27N3O2/c1-20(30)23-13-8-14-24(19-23)27-26(31)29-17-15-28(16-18-29)25(21-9-4-2-5-10-21)22-11-6-3-7-12-22/h2-14,19,25H,15-18H2,1H3,(H,27,31)
InChIKeyQKEZHKFXFGJGHO-UHFFFAOYSA-N
XLogP4.83
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzhydryl-N-[4-[(4-benzhydrylpiperazine-1-carbonyl)amino]phenyl]piperazine-1-carboxamide
CID 43834011
4-benzhydryl-N-(3,4-dichlorophenyl)piperazine-1-carboxamide
CID 1358692
4-[(S)-(4-chlorophenyl)-phenylmethyl]-N-phenylpiperazine-1-carboxamide
CID 92767755
4-benzhydryl-N-(3H-benzimidazol-5-yl)piperazine-1-carboxamide
CID 108885798
N-(3-acetylphenyl)-4-ethylsulfonylpiperazine-1-carboxamide
CID 51102257
4-[bis(4-fluorophenyl)methyl]-N-(3-methylphenyl)piperazine-1-carboxamide
CID 17171393
N-(3-acetylphenyl)-4-prop-2-enylpiperazine-1-carboxamide
CID 113103601
4-benzhydryl-N-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 108871381
2-(4-benzhydrylpiperazin-1-yl)-N-(3-methylphenyl)-2-oxoacetamide
CID 44901949
4-benzhydryl-N-(4-nitrophenyl)piperazine-1-carboxamide
CID 2933426
4-benzhydryl-N-(2,4,6-trifluorophenyl)piperazine-1-carboxamide
CID 46100869
N-(3-acetylphenyl)-4-(3,5-dimethoxybenzoyl)piperazine-1-carboxamide
CID 55696947

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-4-benzhydrylpiperazine-1-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-4-benzhydrylpiperazine-1-carboxamide (CID 2955113) is N-(3-acetylphenyl)-4-benzhydrylpiperazine-1-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-4-benzhydrylpiperazine-1-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-4-benzhydrylpiperazine-1-carboxamide is CC(=O)c1cccc(NC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1.
What is the InChIKey of N-(3-acetylphenyl)-4-benzhydrylpiperazine-1-carboxamide?
The InChIKey is QKEZHKFXFGJGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2/c1-20(30)23-13-8-14-24(19-23)27-26(31)29-17-15-28(16-18-29)25(21-9-4-2-5-10-21)22-11-6-3-7-12-22/h2-14,19,25H,15-18H2,1H3,(H,27,31).
What are the key properties of N-(3-acetylphenyl)-4-benzhydrylpiperazine-1-carboxamide?
N-(3-acetylphenyl)-4-benzhydrylpiperazine-1-carboxamide has a molecular weight of 413.52 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-4-benzhydrylpiperazine-1-carboxamide is sourced from PubChem (CID 2955113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).