2-(4-benzylpiperazin-1-yl)-N-cyclopropyl-2-(4-fluorophenyl)acetamide

C22H26FN3O — CID 24593623

IUPAC2-(4-benzylpiperazin-1-yl)-N-cyclopropyl-2-(4-fluorophenyl)acetamide
SMILESO=C(NC1CC1)C(c1ccc(F)cc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H26FN3O/c23-19-8-6-18(7-9-19)21(22(27)24-20-10-11-20)26-14-12-25(13-15-26)16-17-4-2-1-3-5-17/h1-9,20-21H,10-16H2,(H,24,27)
InChIKeyOLFIHMZILSJRCS-UHFFFAOYSA-N
MW367.47 g/mol
LogP2.96
Rot. Bonds6

About 2-(4-benzylpiperazin-1-yl)-N-cyclopropyl-2-(4-fluorophenyl)acetamide

2-(4-benzylpiperazin-1-yl)-N-cyclopropyl-2-(4-fluorophenyl)acetamide (PubChem CID 24593623) has the molecular formula C22H26FN3O and a molecular weight of 367.47 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N-cyclopropyl-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-N-cyclopropyl-2-(4-fluorophenyl)acetamide
PubChem CID24593623
Molecular FormulaC22H26FN3O
Molecular Weight367.47 g/mol
Exact Mass367.21
IUPAC Name2-(4-benzylpiperazin-1-yl)-N-cyclopropyl-2-(4-fluorophenyl)acetamide
SMILESO=C(NC1CC1)C(c1ccc(F)cc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H26FN3O/c23-19-8-6-18(7-9-19)21(22(27)24-20-10-11-20)26-14-12-25(13-15-26)16-17-4-2-1-3-5-17/h1-9,20-21H,10-16H2,(H,24,27)
InChIKeyOLFIHMZILSJRCS-UHFFFAOYSA-N
XLogP2.96
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(4-fluorophenyl)acetamide
CID 24595097
2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]-N-cyclopropyl-2-(4-fluorophenyl)acetamide
CID 16595090
(2S)-N-cyclopropyl-2-(4-methylpiperazin-1-yl)-2-phenylacetamide
CID 9033055
(2S)-2-(4-acetylpiperazin-1-yl)-N-cyclopropyl-2-phenylacetamide
CID 9033825
(2S)-2-(4-benzylpiperazin-1-yl)-N-cyclopentylpropanamide
CID 2410459
(2S)-N-cyclopropyl-2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-phenylacetamide
CID 9044690
N-cyclopropyl-2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenyl)acetamide
CID 16593609
2-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-N-cyclopropyl-2-(4-fluorophenyl)acetamide
CID 16593824
1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)urea
CID 6465310
(2S)-2-(4-benzylpiperazin-1-yl)-N-cyclohexylpropanamide
CID 51613241
1-benzyl-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 94024263
(2S)-N-cyclopropyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2-phenylacetamide
CID 30959081

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-cyclopropyl-2-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-cyclopropyl-2-(4-fluorophenyl)acetamide (CID 24593623) is 2-(4-benzylpiperazin-1-yl)-N-cyclopropyl-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N-cyclopropyl-2-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N-cyclopropyl-2-(4-fluorophenyl)acetamide is O=C(NC1CC1)C(c1ccc(F)cc1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N-cyclopropyl-2-(4-fluorophenyl)acetamide?
The InChIKey is OLFIHMZILSJRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O/c23-19-8-6-18(7-9-19)21(22(27)24-20-10-11-20)26-14-12-25(13-15-26)16-17-4-2-1-3-5-17/h1-9,20-21H,10-16H2,(H,24,27).
What are the key properties of 2-(4-benzylpiperazin-1-yl)-N-cyclopropyl-2-(4-fluorophenyl)acetamide?
2-(4-benzylpiperazin-1-yl)-N-cyclopropyl-2-(4-fluorophenyl)acetamide has a molecular weight of 367.47 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-N-cyclopropyl-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 24593623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).