2-benzyl-4-cyclopropyl-N-(2-phenylethyl)piperazine-1-carboxamide

C23H29N3O — CID 71801351

IUPAC2-benzyl-4-cyclopropyl-N-(2-phenylethyl)piperazine-1-carboxamide
SMILESO=C(NCCc1ccccc1)N1CCN(C2CC2)CC1Cc1ccccc1
InChIInChI=1S/C23H29N3O/c27-23(24-14-13-19-7-3-1-4-8-19)26-16-15-25(21-11-12-21)18-22(26)17-20-9-5-2-6-10-20/h1-10,21-22H,11-18H2,(H,24,27)
InChIKeyBHCPZWAVTMGACS-UHFFFAOYSA-N
MW363.51 g/mol
LogP3.33
Rot. Bonds6

About 2-benzyl-4-cyclopropyl-N-(2-phenylethyl)piperazine-1-carboxamide

2-benzyl-4-cyclopropyl-N-(2-phenylethyl)piperazine-1-carboxamide (PubChem CID 71801351) has the molecular formula C23H29N3O and a molecular weight of 363.51 g/mol. Its IUPAC name is 2-benzyl-4-cyclopropyl-N-(2-phenylethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name2-benzyl-4-cyclopropyl-N-(2-phenylethyl)piperazine-1-carboxamide
PubChem CID71801351
Molecular FormulaC23H29N3O
Molecular Weight363.51 g/mol
Exact Mass363.23
IUPAC Name2-benzyl-4-cyclopropyl-N-(2-phenylethyl)piperazine-1-carboxamide
SMILESO=C(NCCc1ccccc1)N1CCN(C2CC2)CC1Cc1ccccc1
InChIInChI=1S/C23H29N3O/c27-23(24-14-13-19-7-3-1-4-8-19)26-16-15-25(21-11-12-21)18-22(26)17-20-9-5-2-6-10-20/h1-10,21-22H,11-18H2,(H,24,27)
InChIKeyBHCPZWAVTMGACS-UHFFFAOYSA-N
XLogP3.33
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-benzyl-4-cyclopropyl-N-phenylpiperazine-1-carboxamide
CID 97040924
1-[2-(2-benzyl-4-cyclopropylpiperazin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione
CID 90567212
(E)-1-[(2R)-2-benzyl-4-cyclopropylpiperazin-1-yl]-3-phenylprop-2-en-1-one
CID 97040917
N-[4-(2-benzyl-4-cyclopropylpiperazine-1-carbonyl)phenyl]acetamide
CID 90567032
1-(2-benzyl-4-cyclopropylpiperazin-1-yl)-2-(3-methylphenyl)ethanone
CID 90567156
2-[4-(2-benzyl-4-cyclopropylpiperazin-1-yl)-4-oxobutyl]isoindole-1,3-dione
CID 90567247
1-(2-benzyl-4-cyclopropylpiperazin-1-yl)-2-(4-fluorophenyl)sulfanylethanone
CID 90567211
1-(2-benzyl-4-cyclopropylpiperazin-1-yl)-2-(4-propan-2-ylsulfanylphenyl)ethanone
CID 90567225
(2S)-1-(2-phenylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 28509967
1-benzyl-N-(2-phenylethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 20965148
(2-benzyl-4-cyclopropylpiperazin-1-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 90567197
(2-benzyl-4-cyclopropylpiperazin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 90567166

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-cyclopropyl-N-(2-phenylethyl)piperazine-1-carboxamide?
The IUPAC name of 2-benzyl-4-cyclopropyl-N-(2-phenylethyl)piperazine-1-carboxamide (CID 71801351) is 2-benzyl-4-cyclopropyl-N-(2-phenylethyl)piperazine-1-carboxamide.
What is the SMILES notation for 2-benzyl-4-cyclopropyl-N-(2-phenylethyl)piperazine-1-carboxamide?
The canonical SMILES for 2-benzyl-4-cyclopropyl-N-(2-phenylethyl)piperazine-1-carboxamide is O=C(NCCc1ccccc1)N1CCN(C2CC2)CC1Cc1ccccc1.
What is the InChIKey of 2-benzyl-4-cyclopropyl-N-(2-phenylethyl)piperazine-1-carboxamide?
The InChIKey is BHCPZWAVTMGACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c27-23(24-14-13-19-7-3-1-4-8-19)26-16-15-25(21-11-12-21)18-22(26)17-20-9-5-2-6-10-20/h1-10,21-22H,11-18H2,(H,24,27).
What are the key properties of 2-benzyl-4-cyclopropyl-N-(2-phenylethyl)piperazine-1-carboxamide?
2-benzyl-4-cyclopropyl-N-(2-phenylethyl)piperazine-1-carboxamide has a molecular weight of 363.51 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-cyclopropyl-N-(2-phenylethyl)piperazine-1-carboxamide is sourced from PubChem (CID 71801351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).