4-benzhydryl-1-(3,3-diphenylpropanoyl)piperazine-2-carboxamide

C33H33N3O2 — CID 69379666

IUPAC4-benzhydryl-1-(3,3-diphenylpropanoyl)piperazine-2-carboxamide
SMILESNC(=O)C1CN(C(c2ccccc2)c2ccccc2)CCN1C(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H33N3O2/c34-33(38)30-24-35(32(27-17-9-3-10-18-27)28-19-11-4-12-20-28)21-22-36(30)31(37)23-29(25-13-5-1-6-14-25)26-15-7-2-8-16-26/h1-20,29-30,32H,21-24H2,(H2,34,38)
InChIKeyNCBCFBVIGBVHTG-UHFFFAOYSA-N
MW503.65 g/mol
LogP5.00
Rot. Bonds8

About 4-benzhydryl-1-(3,3-diphenylpropanoyl)piperazine-2-carboxamide

4-benzhydryl-1-(3,3-diphenylpropanoyl)piperazine-2-carboxamide (PubChem CID 69379666) has the molecular formula C33H33N3O2 and a molecular weight of 503.65 g/mol. Its IUPAC name is 4-benzhydryl-1-(3,3-diphenylpropanoyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name4-benzhydryl-1-(3,3-diphenylpropanoyl)piperazine-2-carboxamide
PubChem CID69379666
Molecular FormulaC33H33N3O2
Molecular Weight503.65 g/mol
Exact Mass503.26
IUPAC Name4-benzhydryl-1-(3,3-diphenylpropanoyl)piperazine-2-carboxamide
SMILESNC(=O)C1CN(C(c2ccccc2)c2ccccc2)CCN1C(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H33N3O2/c34-33(38)30-24-35(32(27-17-9-3-10-18-27)28-19-11-4-12-20-28)21-22-36(30)31(37)23-29(25-13-5-1-6-14-25)26-15-7-2-8-16-26/h1-20,29-30,32H,21-24H2,(H2,34,38)
InChIKeyNCBCFBVIGBVHTG-UHFFFAOYSA-N
XLogP5.00
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.65
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-benzhydryl-1-(3,3-diphenylpropanoyl)piperazine-2-carboxylate
CID 10324784
[4-benzhydryl-1-(3,3-diphenylpropanoyl)piperazin-2-yl] carbamate
CID 69379801
4-benzhydryl-1-(3,3-diphenylpropanoyl)piperazine-2-carbonitrile
CID 69378274
(2S,4R)-1-(3,3-diphenylpropanoyl)-4-fluoropyrrolidine-2-carboxamide
CID 120965340
1-(4-benzhydrylpiperazin-1-yl)-3,3-diphenylpropan-1-one;hydrochloride
CID 119057587
(2S)-1-(3-phenylpropanoyl)-4-propan-2-ylpiperazine-2-carboxamide
CID 124951183
1-(3,3-diphenylpropanoyl)pyrrolidine-2-carboxylic acid
CID 22665663
2-[4-[2-[(2S)-4-benzhydryl-2-propan-2-ylpiperazin-1-yl]-2-oxoethyl]cyclooctyl]acetamide
CID 142219958
1-[4-[(4-hydroxyphenyl)-phenylmethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one
CID 69378792
1-(4-benzhydrylpiperazin-1-yl)-4,4-diphenylbutan-1-one
CID 11842614
1-[3-(2-methoxyphenyl)propanoyl]-4-propan-2-ylpiperazine-2-carboxamide
CID 110086198
1-(4-aminopiperidin-1-yl)-3,3-diphenylpropan-1-one
CID 28804060

Frequently Asked Questions

What is the IUPAC name of 4-benzhydryl-1-(3,3-diphenylpropanoyl)piperazine-2-carboxamide?
The IUPAC name of 4-benzhydryl-1-(3,3-diphenylpropanoyl)piperazine-2-carboxamide (CID 69379666) is 4-benzhydryl-1-(3,3-diphenylpropanoyl)piperazine-2-carboxamide.
What is the SMILES notation for 4-benzhydryl-1-(3,3-diphenylpropanoyl)piperazine-2-carboxamide?
The canonical SMILES for 4-benzhydryl-1-(3,3-diphenylpropanoyl)piperazine-2-carboxamide is NC(=O)C1CN(C(c2ccccc2)c2ccccc2)CCN1C(=O)CC(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-benzhydryl-1-(3,3-diphenylpropanoyl)piperazine-2-carboxamide?
The InChIKey is NCBCFBVIGBVHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33N3O2/c34-33(38)30-24-35(32(27-17-9-3-10-18-27)28-19-11-4-12-20-28)21-22-36(30)31(37)23-29(25-13-5-1-6-14-25)26-15-7-2-8-16-26/h1-20,29-30,32H,21-24H2,(H2,34,38).
What are the key properties of 4-benzhydryl-1-(3,3-diphenylpropanoyl)piperazine-2-carboxamide?
4-benzhydryl-1-(3,3-diphenylpropanoyl)piperazine-2-carboxamide has a molecular weight of 503.65 g/mol, XLogP of 5.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzhydryl-1-(3,3-diphenylpropanoyl)piperazine-2-carboxamide is sourced from PubChem (CID 69379666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).