2-[4-[2-(2-chlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-N-phenylacetamide

C22H24ClN3O2 — CID 51333103

IUPAC2-[4-[2-(2-chlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-N-phenylacetamide
SMILESO=C(CN1CCN(C(=O)C2CC2c2ccccc2Cl)CC1)Nc1ccccc1
InChIInChI=1S/C22H24ClN3O2/c23-20-9-5-4-8-17(20)18-14-19(18)22(28)26-12-10-25(11-13-26)15-21(27)24-16-6-2-1-3-7-16/h1-9,18-19H,10-15H2,(H,24,27)
InChIKeyMWAZHEGIGRFQAM-UHFFFAOYSA-N
MW397.91 g/mol
LogP3.23
Rot. Bonds5

About 2-[4-[2-(2-chlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-N-phenylacetamide

2-[4-[2-(2-chlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-N-phenylacetamide (PubChem CID 51333103) has the molecular formula C22H24ClN3O2 and a molecular weight of 397.91 g/mol. Its IUPAC name is 2-[4-[2-(2-chlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-[2-(2-chlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-N-phenylacetamide
PubChem CID51333103
Molecular FormulaC22H24ClN3O2
Molecular Weight397.91 g/mol
Exact Mass397.16
IUPAC Name2-[4-[2-(2-chlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-N-phenylacetamide
SMILESO=C(CN1CCN(C(=O)C2CC2c2ccccc2Cl)CC1)Nc1ccccc1
InChIInChI=1S/C22H24ClN3O2/c23-20-9-5-4-8-17(20)18-14-19(18)22(28)26-12-10-25(11-13-26)15-21(27)24-16-6-2-1-3-7-16/h1-9,18-19H,10-15H2,(H,24,27)
InChIKeyMWAZHEGIGRFQAM-UHFFFAOYSA-N
XLogP3.23
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[2-(2-chlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 51295287
4-[2-(2-chloroanilino)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide
CID 17447421
[2-(2-chlorophenyl)cyclopropyl]-(4-cyclopropylpiperazin-1-yl)methanone
CID 71936528
2-[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-N-phenylacetamide;dihydrochloride
CID 119840839
2-[4-(4-tert-butylcyclohexanecarbonyl)piperazin-1-yl]-N-phenylacetamide
CID 31149812
2-[4-[(1R,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]-2-oxopiperazin-1-yl]-N-methylacetamide
CID 95783352
2-[4-[(1R,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-2-oxopiperazin-1-yl]-N-methylacetamide
CID 95783354
[2-(2-chlorophenyl)cyclopropyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 51291684
1-[(1S,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-4-phenylpiperidine-4-carboxylic acid
CID 124702859
[2-(2-chlorophenyl)cyclopropyl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 112806323
2-[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-N-phenylacetamide
CID 34432845
[2-(2-chlorophenyl)cyclopropyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 51292072

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-chlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-[2-(2-chlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-N-phenylacetamide (CID 51333103) is 2-[4-[2-(2-chlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-[2-(2-chlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-[2-(2-chlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-N-phenylacetamide is O=C(CN1CCN(C(=O)C2CC2c2ccccc2Cl)CC1)Nc1ccccc1.
What is the InChIKey of 2-[4-[2-(2-chlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-N-phenylacetamide?
The InChIKey is MWAZHEGIGRFQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O2/c23-20-9-5-4-8-17(20)18-14-19(18)22(28)26-12-10-25(11-13-26)15-21(27)24-16-6-2-1-3-7-16/h1-9,18-19H,10-15H2,(H,24,27).
What are the key properties of 2-[4-[2-(2-chlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-N-phenylacetamide?
2-[4-[2-(2-chlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-N-phenylacetamide has a molecular weight of 397.91 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-chlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 51333103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).