2-amino-3-phenyl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride

C18H22ClN3O2S — CID 119298888

IUPAC2-amino-3-phenyl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride
SMILESCl.NC(Cc1ccccc1)C(=O)N1CCN(C(=O)c2ccsc2)CC1
InChIInChI=1S/C18H21N3O2S.ClH/c19-16(12-14-4-2-1-3-5-14)18(23)21-9-7-20(8-10-21)17(22)15-6-11-24-13-15;/h1-6,11,13,16H,7-10,12,19H2;1H
InChIKeyWLSYANQJXFDDKC-UHFFFAOYSA-N
MW379.91 g/mol
LogP2.02
Rot. Bonds4

About 2-amino-3-phenyl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride

2-amino-3-phenyl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride (PubChem CID 119298888) has the molecular formula C18H22ClN3O2S and a molecular weight of 379.91 g/mol. Its IUPAC name is 2-amino-3-phenyl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-3-phenyl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride
PubChem CID119298888
Molecular FormulaC18H22ClN3O2S
Molecular Weight379.91 g/mol
Exact Mass379.11
IUPAC Name2-amino-3-phenyl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride
SMILESCl.NC(Cc1ccccc1)C(=O)N1CCN(C(=O)c2ccsc2)CC1
InChIInChI=1S/C18H21N3O2S.ClH/c19-16(12-14-4-2-1-3-5-14)18(23)21-9-7-20(8-10-21)17(22)15-6-11-24-13-15;/h1-6,11,13,16H,7-10,12,19H2;1H
InChIKeyWLSYANQJXFDDKC-UHFFFAOYSA-N
XLogP2.02
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.91
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]pentan-1-one
CID 60962811
(2S)-2-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119298879
(2R)-2-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119298897
(2S)-2-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 2087046
(2R)-2-amino-4-methylsulfanyl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]butan-1-one
CID 104907865
(2S)-2-amino-1-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 119301448
(2S)-2-amino-1-(4-oxidopiperazin-1-yl)-3-phenylpropan-1-one
CID 88677274
4-(2-amino-3-phenylpropanoyl)piperazine-1-sulfonamide;hydrochloride
CID 119277565
2-amino-3-phenyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119834080
2,2-difluoro-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone
CID 103514904
(2S)-2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119831562
(4-phenylpiperazin-1-yl)-thiophen-3-ylmethanone
CID 110695891

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-phenyl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride?
The IUPAC name of 2-amino-3-phenyl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride (CID 119298888) is 2-amino-3-phenyl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride.
What is the SMILES notation for 2-amino-3-phenyl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride?
The canonical SMILES for 2-amino-3-phenyl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride is Cl.NC(Cc1ccccc1)C(=O)N1CCN(C(=O)c2ccsc2)CC1.
What is the InChIKey of 2-amino-3-phenyl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride?
The InChIKey is WLSYANQJXFDDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S.ClH/c19-16(12-14-4-2-1-3-5-14)18(23)21-9-7-20(8-10-21)17(22)15-6-11-24-13-15;/h1-6,11,13,16H,7-10,12,19H2;1H.
What are the key properties of 2-amino-3-phenyl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride?
2-amino-3-phenyl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride has a molecular weight of 379.91 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-phenyl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride is sourced from PubChem (CID 119298888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).