(2S)-2-amino-1-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride

C19H24ClN3O2S — CID 119301448

IUPAC(2S)-2-amino-1-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride
SMILESCc1ccc(C(=O)N2CCN(C(=O)[C@@H](N)Cc3ccccc3)CC2)s1.Cl
InChIInChI=1S/C19H23N3O2S.ClH/c1-14-7-8-17(25-14)19(24)22-11-9-21(10-12-22)18(23)16(20)13-15-5-3-2-4-6-15;/h2-8,16H,9-13,20H2,1H3;1H/t16-;/m0./s1
InChIKeyMABJMZJMOMJZPC-NTISSMGPSA-N
MW393.94 g/mol
LogP2.33
Rot. Bonds4

About (2S)-2-amino-1-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride

(2S)-2-amino-1-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride (PubChem CID 119301448) has the molecular formula C19H24ClN3O2S and a molecular weight of 393.94 g/mol. Its IUPAC name is (2S)-2-amino-1-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-1-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride
PubChem CID119301448
Molecular FormulaC19H24ClN3O2S
Molecular Weight393.94 g/mol
Exact Mass393.13
IUPAC Name(2S)-2-amino-1-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride
SMILESCc1ccc(C(=O)N2CCN(C(=O)[C@@H](N)Cc3ccccc3)CC2)s1.Cl
InChIInChI=1S/C19H23N3O2S.ClH/c1-14-7-8-17(25-14)19(24)22-11-9-21(10-12-22)18(23)16(20)13-15-5-3-2-4-6-15;/h2-8,16H,9-13,20H2,1H3;1H/t16-;/m0./s1
InChIKeyMABJMZJMOMJZPC-NTISSMGPSA-N
XLogP2.33
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.94
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-1-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride 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

(2S)-2-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 2087046
2-amino-3-phenyl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119298888
(2S)-2-amino-1-(4-oxidopiperazin-1-yl)-3-phenylpropan-1-one
CID 88677274
(2S)-2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119831562
4-(2-amino-3-phenylpropanoyl)piperazine-1-sulfonamide;hydrochloride
CID 119277565
(2S)-2-amino-1-(4-tert-butylpiperazin-1-yl)-3-phenylpropan-1-one
CID 61430391
(2R)-2-amino-1-(4-methylsulfonylpiperazin-1-yl)-3-phenylpropan-1-one
CID 78984747
(2R)-2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 78984555
2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119826529
[4-(aminomethyl)phenyl]-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119301454
2-amino-3-phenyl-1-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119899884
(2S)-2-amino-1-[4-(2-ethoxybenzoyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119285208

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride?
The IUPAC name of (2S)-2-amino-1-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride (CID 119301448) is (2S)-2-amino-1-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride.
What is the SMILES notation for (2S)-2-amino-1-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride?
The canonical SMILES for (2S)-2-amino-1-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride is Cc1ccc(C(=O)N2CCN(C(=O)[C@@H](N)Cc3ccccc3)CC2)s1.Cl.
What is the InChIKey of (2S)-2-amino-1-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride?
The InChIKey is MABJMZJMOMJZPC-NTISSMGPSA-N. The full InChI is InChI=1S/C19H23N3O2S.ClH/c1-14-7-8-17(25-14)19(24)22-11-9-21(10-12-22)18(23)16(20)13-15-5-3-2-4-6-15;/h2-8,16H,9-13,20H2,1H3;1H/t16-;/m0./s1.
What are the key properties of (2S)-2-amino-1-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride?
(2S)-2-amino-1-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride has a molecular weight of 393.94 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride is sourced from PubChem (CID 119301448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).