2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide

C23H28ClN3O — CID 46558763

IUPAC2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(C(NC(=O)CN2CCN(c3ccccc3Cl)CC2)C2CC2)cc1
InChIInChI=1S/C23H28ClN3O/c1-17-6-8-18(9-7-17)23(19-10-11-19)25-22(28)16-26-12-14-27(15-13-26)21-5-3-2-4-20(21)24/h2-9,19,23H,10-16H2,1H3,(H,25,28)
InChIKeyWNPWLFTYSXRLPM-UHFFFAOYSA-N
MW397.95 g/mol
LogP4.04
Rot. Bonds6

About 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide

2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide (PubChem CID 46558763) has the molecular formula C23H28ClN3O and a molecular weight of 397.95 g/mol. Its IUPAC name is 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide
PubChem CID46558763
Molecular FormulaC23H28ClN3O
Molecular Weight397.95 g/mol
Exact Mass397.19
IUPAC Name2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(C(NC(=O)CN2CCN(c3ccccc3Cl)CC2)C2CC2)cc1
InChIInChI=1S/C23H28ClN3O/c1-17-6-8-18(9-7-17)23(19-10-11-19)25-22(28)16-26-12-14-27(15-13-26)21-5-3-2-4-20(21)24/h2-9,19,23H,10-16H2,1H3,(H,25,28)
InChIKeyWNPWLFTYSXRLPM-UHFFFAOYSA-N
XLogP4.04
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.95
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyclopropyl-(4-methylphenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 55524481
2-(azepan-1-yl)-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide
CID 46526961
1-[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl]piperidine-4-carboxylic acid
CID 119907923
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 8704609
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[1-(3,4-dimethylphenyl)ethyl]acetamide
CID 55353735
N-[(S)-cyclopropyl-(4-methylphenyl)methyl]-2-(2,3-dihydro-1,4-benzothiazin-4-yl)acetamide
CID 33417803
2-(4-cyclohexyloxypiperidin-1-yl)-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide
CID 86873908
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[(1S)-1-phenylbutyl]acetamide
CID 9346721
N-[cyclopropyl-(4-methylphenyl)methyl]-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)acetamide
CID 55830599
N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[4-(2-chlorophenyl)piperazin-1-yl]acetamide
CID 8704583
N-[(R)-cyclopropyl-(4-methylphenyl)methyl]-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide
CID 95289306
N-[cyclopropyl(phenyl)methyl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 86919337

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide (CID 46558763) is 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide is Cc1ccc(C(NC(=O)CN2CCN(c3ccccc3Cl)CC2)C2CC2)cc1.
What is the InChIKey of 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide?
The InChIKey is WNPWLFTYSXRLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O/c1-17-6-8-18(9-7-17)23(19-10-11-19)25-22(28)16-26-12-14-27(15-13-26)21-5-3-2-4-20(21)24/h2-9,19,23H,10-16H2,1H3,(H,25,28).
What are the key properties of 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide?
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide has a molecular weight of 397.95 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 46558763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).