(2S)-2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(cyclopropylmethyl)propanamide

C17H24ClN3O — CID 92987652

IUPAC(2S)-2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(cyclopropylmethyl)propanamide
SMILESC[C@@H](C(=O)NCC1CC1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H24ClN3O/c1-13(17(22)19-12-14-2-3-14)20-8-10-21(11-9-20)16-6-4-15(18)5-7-16/h4-7,13-14H,2-3,8-12H2,1H3,(H,19,22)/t13-/m0/s1
InChIKeyXDOXVGUSMXCKFB-ZDUSSCGKSA-N
MW321.85 g/mol
LogP2.38
Rot. Bonds5

About (2S)-2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(cyclopropylmethyl)propanamide

(2S)-2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(cyclopropylmethyl)propanamide (PubChem CID 92987652) has the molecular formula C17H24ClN3O and a molecular weight of 321.85 g/mol. Its IUPAC name is (2S)-2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(cyclopropylmethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(cyclopropylmethyl)propanamide
PubChem CID92987652
Molecular FormulaC17H24ClN3O
Molecular Weight321.85 g/mol
Exact Mass321.16
IUPAC Name(2S)-2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(cyclopropylmethyl)propanamide
SMILESC[C@@H](C(=O)NCC1CC1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H24ClN3O/c1-13(17(22)19-12-14-2-3-14)20-8-10-21(11-9-20)16-6-4-15(18)5-7-16/h4-7,13-14H,2-3,8-12H2,1H3,(H,19,22)/t13-/m0/s1
InChIKeyXDOXVGUSMXCKFB-ZDUSSCGKSA-N
XLogP2.38
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.85
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(cyclopropylmethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(cyclohexylmethyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 4880388
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)propanamide
CID 83284147
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 46744278
N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide
CID 47445976
N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 51094994
N-(4-chlorophenyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 18078421
N-(cyclohexylmethyl)-2-(4-hydroxypiperidin-1-yl)propanamide
CID 110877674
N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-ethylbutanamide
CID 110640634
N-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 78698233
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-propylpropanamide
CID 51242874
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)propanamide
CID 46162037
N-(cyclohexylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 4030737

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(cyclopropylmethyl)propanamide?
The IUPAC name of (2S)-2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(cyclopropylmethyl)propanamide (CID 92987652) is (2S)-2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(cyclopropylmethyl)propanamide.
What is the SMILES notation for (2S)-2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(cyclopropylmethyl)propanamide?
The canonical SMILES for (2S)-2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(cyclopropylmethyl)propanamide is C[C@@H](C(=O)NCC1CC1)N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of (2S)-2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(cyclopropylmethyl)propanamide?
The InChIKey is XDOXVGUSMXCKFB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H24ClN3O/c1-13(17(22)19-12-14-2-3-14)20-8-10-21(11-9-20)16-6-4-15(18)5-7-16/h4-7,13-14H,2-3,8-12H2,1H3,(H,19,22)/t13-/m0/s1.
What are the key properties of (2S)-2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(cyclopropylmethyl)propanamide?
(2S)-2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(cyclopropylmethyl)propanamide has a molecular weight of 321.85 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(cyclopropylmethyl)propanamide is sourced from PubChem (CID 92987652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).