(2S)-2-benzyl-4-cyclopropyl-N-phenylpiperazine-1-carboxamide

C21H25N3O — CID 97040924

IUPAC(2S)-2-benzyl-4-cyclopropyl-N-phenylpiperazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCN(C2CC2)C[C@@H]1Cc1ccccc1
InChIInChI=1S/C21H25N3O/c25-21(22-18-9-5-2-6-10-18)24-14-13-23(19-11-12-19)16-20(24)15-17-7-3-1-4-8-17/h1-10,19-20H,11-16H2,(H,22,25)/t20-/m0/s1
InChIKeyWSKUENSBOAZEEY-FQEVSTJZSA-N
MW335.45 g/mol
LogP3.61
Rot. Bonds4

About (2S)-2-benzyl-4-cyclopropyl-N-phenylpiperazine-1-carboxamide

(2S)-2-benzyl-4-cyclopropyl-N-phenylpiperazine-1-carboxamide (PubChem CID 97040924) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is (2S)-2-benzyl-4-cyclopropyl-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-benzyl-4-cyclopropyl-N-phenylpiperazine-1-carboxamide
PubChem CID97040924
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name(2S)-2-benzyl-4-cyclopropyl-N-phenylpiperazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCN(C2CC2)C[C@@H]1Cc1ccccc1
InChIInChI=1S/C21H25N3O/c25-21(22-18-9-5-2-6-10-18)24-14-13-23(19-11-12-19)16-20(24)15-17-7-3-1-4-8-17/h1-10,19-20H,11-16H2,(H,22,25)/t20-/m0/s1
InChIKeyWSKUENSBOAZEEY-FQEVSTJZSA-N
XLogP3.61
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-4-cyclopropyl-N-(2-phenylethyl)piperazine-1-carboxamide
CID 71801351
N-[4-(2-benzyl-4-cyclopropylpiperazine-1-carbonyl)phenyl]acetamide
CID 90567032
(E)-1-[(2R)-2-benzyl-4-cyclopropylpiperazin-1-yl]-3-phenylprop-2-en-1-one
CID 97040917
1-[2-(2-benzyl-4-cyclopropylpiperazin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione
CID 90567212
1-(2-benzyl-4-cyclopropylpiperazin-1-yl)-2-(3-methylphenyl)ethanone
CID 90567156
2-[(4-fluorophenyl)methyl]-N-phenylpyrrolidine-1-carboxamide
CID 110601869
1-(2-benzyl-4-cyclopropylpiperazin-1-yl)-2-(4-fluorophenyl)sulfanylethanone
CID 90567211
(2-benzyl-4-cyclopropylpiperazin-1-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 90567197
2-[4-(2-benzyl-4-cyclopropylpiperazin-1-yl)-4-oxobutyl]isoindole-1,3-dione
CID 90567247
(2-benzyl-4-cyclopropylpiperazin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 90567166
1-(2-benzyl-4-cyclopropylpiperazin-1-yl)-2-(4-propan-2-ylsulfanylphenyl)ethanone
CID 90567225
N-(4-tert-butylphenyl)-4-cyclopropyl-2-phenylpiperazine-1-carboxamide
CID 90566900

Frequently Asked Questions

What is the IUPAC name of (2S)-2-benzyl-4-cyclopropyl-N-phenylpiperazine-1-carboxamide?
The IUPAC name of (2S)-2-benzyl-4-cyclopropyl-N-phenylpiperazine-1-carboxamide (CID 97040924) is (2S)-2-benzyl-4-cyclopropyl-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for (2S)-2-benzyl-4-cyclopropyl-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for (2S)-2-benzyl-4-cyclopropyl-N-phenylpiperazine-1-carboxamide is O=C(Nc1ccccc1)N1CCN(C2CC2)C[C@@H]1Cc1ccccc1.
What is the InChIKey of (2S)-2-benzyl-4-cyclopropyl-N-phenylpiperazine-1-carboxamide?
The InChIKey is WSKUENSBOAZEEY-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H25N3O/c25-21(22-18-9-5-2-6-10-18)24-14-13-23(19-11-12-19)16-20(24)15-17-7-3-1-4-8-17/h1-10,19-20H,11-16H2,(H,22,25)/t20-/m0/s1.
What are the key properties of (2S)-2-benzyl-4-cyclopropyl-N-phenylpiperazine-1-carboxamide?
(2S)-2-benzyl-4-cyclopropyl-N-phenylpiperazine-1-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-benzyl-4-cyclopropyl-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 97040924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).