(2S)-2-amino-1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]propan-1-one

C15H20ClN3O2 — CID 119306660

IUPAC(2S)-2-amino-1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]propan-1-one
SMILESC[C@H](N)C(=O)N1CCN(C(=O)Cc2ccccc2Cl)CC1
InChIInChI=1S/C15H20ClN3O2/c1-11(17)15(21)19-8-6-18(7-9-19)14(20)10-12-4-2-3-5-13(12)16/h2-5,11H,6-10,17H2,1H3/t11-/m0/s1
InChIKeyRLYUBROHZGXXJM-NSHDSACASA-N
MW309.80 g/mol
LogP0.90
Rot. Bonds3

About (2S)-2-amino-1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]propan-1-one

(2S)-2-amino-1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]propan-1-one (PubChem CID 119306660) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is (2S)-2-amino-1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]propan-1-one
PubChem CID119306660
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name(2S)-2-amino-1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]propan-1-one
SMILESC[C@H](N)C(=O)N1CCN(C(=O)Cc2ccccc2Cl)CC1
InChIInChI=1S/C15H20ClN3O2/c1-11(17)15(21)19-8-6-18(7-9-19)14(20)10-12-4-2-3-5-13(12)16/h2-5,11H,6-10,17H2,1H3/t11-/m0/s1
InChIKeyRLYUBROHZGXXJM-NSHDSACASA-N
XLogP0.90
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-1-[4-[2-(2-chlorophenyl)acetyl]piperazin-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

2-amino-1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]-3-methoxypropan-1-one;hydrochloride
CID 120987590
(2R)-2-amino-1-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one;hydrochloride
CID 119306879
3-amino-1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 119306662
4-[2-(2-chlorophenyl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 47079935
(2S)-2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]propan-1-one
CID 28933878
(2R)-2-amino-1-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]propan-1-one
CID 99718988
N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2-methylpropanamide
CID 110822854
1-[4-(2-amino-2-methylpropyl)piperazin-1-yl]-2-(2-chlorophenyl)ethanone
CID 120848013
(2R)-2-amino-1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 119269678
4-[4-[2-(2-chlorophenyl)acetyl]piperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 48597700
1-[2-(1-aminoethyl)morpholin-4-yl]-2-(2-chlorophenyl)ethanone
CID 81485233
2-(2-chlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 90382743

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]propan-1-one?
The IUPAC name of (2S)-2-amino-1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]propan-1-one (CID 119306660) is (2S)-2-amino-1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for (2S)-2-amino-1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for (2S)-2-amino-1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]propan-1-one is C[C@H](N)C(=O)N1CCN(C(=O)Cc2ccccc2Cl)CC1.
What is the InChIKey of (2S)-2-amino-1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]propan-1-one?
The InChIKey is RLYUBROHZGXXJM-NSHDSACASA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-11(17)15(21)19-8-6-18(7-9-19)14(20)10-12-4-2-3-5-13(12)16/h2-5,11H,6-10,17H2,1H3/t11-/m0/s1.
What are the key properties of (2S)-2-amino-1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]propan-1-one?
(2S)-2-amino-1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]propan-1-one has a molecular weight of 309.80 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 119306660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).