(2S)-2-(4-chloroanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one

C19H22ClN3O — CID 25351776

IUPAC(2S)-2-(4-chloroanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one
SMILESC[C@H](Nc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H22ClN3O/c1-15(21-17-9-7-16(20)8-10-17)19(24)23-13-11-22(12-14-23)18-5-3-2-4-6-18/h2-10,15,21H,11-14H2,1H3/t15-/m0/s1
InChIKeySGIUZDTVPCRZLN-HNNXBMFYSA-N
MW343.86 g/mol
LogP3.49
Rot. Bonds4

About (2S)-2-(4-chloroanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one

(2S)-2-(4-chloroanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one (PubChem CID 25351776) has the molecular formula C19H22ClN3O and a molecular weight of 343.86 g/mol. Its IUPAC name is (2S)-2-(4-chloroanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name(2S)-2-(4-chloroanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one
PubChem CID25351776
Molecular FormulaC19H22ClN3O
Molecular Weight343.86 g/mol
Exact Mass343.15
IUPAC Name(2S)-2-(4-chloroanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one
SMILESC[C@H](Nc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H22ClN3O/c1-15(21-17-9-7-16(20)8-10-17)19(24)23-13-11-22(12-14-23)18-5-3-2-4-6-18/h2-10,15,21H,11-14H2,1H3/t15-/m0/s1
InChIKeySGIUZDTVPCRZLN-HNNXBMFYSA-N
XLogP3.49
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-(4-chloroanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one 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

4-chloro-N-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide
CID 112760576
(2S)-1-(4-benzylpiperazin-1-yl)-2-(4-chloroanilino)propan-1-one
CID 7928563
2-(4-ethoxyanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 17449282
2-(4-cyclopentyloxyanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 55572273
1-[2-chloro-4-[[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]phenyl]pyrrolidin-2-one
CID 32508446
6-[[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one
CID 34310061
N-[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide
CID 2558168
(2S)-2-[(4-chlorophenyl)methyl-methylamino]-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 40954300
(2R)-2-(2,5-dimethylanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 25340673
N-(4-chlorophenyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 18078421
N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 71829787
1,1-dimethyl-3-[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]urea
CID 110348022

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chloroanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one?
The IUPAC name of (2S)-2-(4-chloroanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one (CID 25351776) is (2S)-2-(4-chloroanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for (2S)-2-(4-chloroanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one?
The canonical SMILES for (2S)-2-(4-chloroanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one is C[C@H](Nc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of (2S)-2-(4-chloroanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one?
The InChIKey is SGIUZDTVPCRZLN-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H22ClN3O/c1-15(21-17-9-7-16(20)8-10-17)19(24)23-13-11-22(12-14-23)18-5-3-2-4-6-18/h2-10,15,21H,11-14H2,1H3/t15-/m0/s1.
What are the key properties of (2S)-2-(4-chloroanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one?
(2S)-2-(4-chloroanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one has a molecular weight of 343.86 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chloroanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 25351776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).