N-(2-chlorophenyl)-2-[4-[(3S)-3-phenylbutanoyl]piperazin-1-yl]acetamide

C22H26ClN3O2 — CID 9020714

IUPACN-(2-chlorophenyl)-2-[4-[(3S)-3-phenylbutanoyl]piperazin-1-yl]acetamide
SMILESC[C@@H](CC(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1)c1ccccc1
InChIInChI=1S/C22H26ClN3O2/c1-17(18-7-3-2-4-8-18)15-22(28)26-13-11-25(12-14-26)16-21(27)24-20-10-6-5-9-19(20)23/h2-10,17H,11-16H2,1H3,(H,24,27)/t17-/m0/s1
InChIKeyHJZYCACOLSZWPM-KRWDZBQOSA-N
MW399.92 g/mol
LogP3.62
Rot. Bonds6

About N-(2-chlorophenyl)-2-[4-[(3S)-3-phenylbutanoyl]piperazin-1-yl]acetamide

N-(2-chlorophenyl)-2-[4-[(3S)-3-phenylbutanoyl]piperazin-1-yl]acetamide (PubChem CID 9020714) has the molecular formula C22H26ClN3O2 and a molecular weight of 399.92 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[4-[(3S)-3-phenylbutanoyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[4-[(3S)-3-phenylbutanoyl]piperazin-1-yl]acetamide
PubChem CID9020714
Molecular FormulaC22H26ClN3O2
Molecular Weight399.92 g/mol
Exact Mass399.17
IUPAC NameN-(2-chlorophenyl)-2-[4-[(3S)-3-phenylbutanoyl]piperazin-1-yl]acetamide
SMILESC[C@@H](CC(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1)c1ccccc1
InChIInChI=1S/C22H26ClN3O2/c1-17(18-7-3-2-4-8-18)15-22(28)26-13-11-25(12-14-26)16-21(27)24-20-10-6-5-9-19(20)23/h2-10,17H,11-16H2,1H3,(H,24,27)/t17-/m0/s1
InChIKeyHJZYCACOLSZWPM-KRWDZBQOSA-N
XLogP3.62
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.92
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethylphenyl)-2-[4-[(3R)-3-phenylbutanoyl]piperazin-1-yl]acetamide
CID 9022351
2-[4-(2-anilinoacetyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 119833675
2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide;dihydrochloride
CID 119833652
N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 22197633
2-[4-[(2S)-2-(benzenesulfonamido)propanoyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 55943067
4-[2-(2-chloroanilino)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide
CID 17447421
2-[4-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 9434323
N-(2-chlorophenyl)-2-[4-[2-oxo-2-[[(1S)-1-(4-phenylphenyl)ethyl]amino]ethyl]piperazin-1-yl]acetamide
CID 30627238
N-[2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-N-methylbenzamide
CID 35708070
2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 29161450
2-[4-[(3S)-3-phenylbutanoyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 25496752
N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24832355

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[4-[(3S)-3-phenylbutanoyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[4-[(3S)-3-phenylbutanoyl]piperazin-1-yl]acetamide (CID 9020714) is N-(2-chlorophenyl)-2-[4-[(3S)-3-phenylbutanoyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[4-[(3S)-3-phenylbutanoyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[4-[(3S)-3-phenylbutanoyl]piperazin-1-yl]acetamide is C[C@@H](CC(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1)c1ccccc1.
What is the InChIKey of N-(2-chlorophenyl)-2-[4-[(3S)-3-phenylbutanoyl]piperazin-1-yl]acetamide?
The InChIKey is HJZYCACOLSZWPM-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H26ClN3O2/c1-17(18-7-3-2-4-8-18)15-22(28)26-13-11-25(12-14-26)16-21(27)24-20-10-6-5-9-19(20)23/h2-10,17H,11-16H2,1H3,(H,24,27)/t17-/m0/s1.
What are the key properties of N-(2-chlorophenyl)-2-[4-[(3S)-3-phenylbutanoyl]piperazin-1-yl]acetamide?
N-(2-chlorophenyl)-2-[4-[(3S)-3-phenylbutanoyl]piperazin-1-yl]acetamide has a molecular weight of 399.92 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[4-[(3S)-3-phenylbutanoyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 9020714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).