5-[2-(3-chlorophenyl)piperazine-1-carbonyl]thiophene-2-carboxamide;hydrochloride

C16H17Cl2N3O2S — CID 120802549

IUPAC5-[2-(3-chlorophenyl)piperazine-1-carbonyl]thiophene-2-carboxamide;hydrochloride
SMILESCl.NC(=O)c1ccc(C(=O)N2CCNCC2c2cccc(Cl)c2)s1
InChIInChI=1S/C16H16ClN3O2S.ClH/c17-11-3-1-2-10(8-11)12-9-19-6-7-20(12)16(22)14-5-4-13(23-14)15(18)21;/h1-5,8,12,19H,6-7,9H2,(H2,18,21);1H
InChIKeyIAOVKZNOCGBYAM-UHFFFAOYSA-N
MW386.30 g/mol
LogP2.71
Rot. Bonds3

About 5-[2-(3-chlorophenyl)piperazine-1-carbonyl]thiophene-2-carboxamide;hydrochloride

5-[2-(3-chlorophenyl)piperazine-1-carbonyl]thiophene-2-carboxamide;hydrochloride (PubChem CID 120802549) has the molecular formula C16H17Cl2N3O2S and a molecular weight of 386.30 g/mol. Its IUPAC name is 5-[2-(3-chlorophenyl)piperazine-1-carbonyl]thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-[2-(3-chlorophenyl)piperazine-1-carbonyl]thiophene-2-carboxamide;hydrochloride
PubChem CID120802549
Molecular FormulaC16H17Cl2N3O2S
Molecular Weight386.30 g/mol
Exact Mass385.04
IUPAC Name5-[2-(3-chlorophenyl)piperazine-1-carbonyl]thiophene-2-carboxamide;hydrochloride
SMILESCl.NC(=O)c1ccc(C(=O)N2CCNCC2c2cccc(Cl)c2)s1
InChIInChI=1S/C16H16ClN3O2S.ClH/c17-11-3-1-2-10(8-11)12-9-19-6-7-20(12)16(22)14-5-4-13(23-14)15(18)21;/h1-5,8,12,19H,6-7,9H2,(H2,18,21);1H
InChIKeyIAOVKZNOCGBYAM-UHFFFAOYSA-N
XLogP2.71
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.30
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(3-fluorophenyl)piperazine-1-carbonyl]thiophene-2-carboxamide;hydrochloride
CID 120736543
[2-(3-chlorophenyl)piperazin-1-yl]-(5-nitrothiophen-2-yl)methanone;hydrochloride
CID 120801979
(5-chlorothiophen-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone
CID 120736095
[2-(3-chlorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 120801994
[2-(3-chlorophenyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 120802374
1-[4-[2-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]propan-1-one
CID 120802746
[2-(3-chlorophenyl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone;hydrochloride
CID 120802183
[2-(3-chlorophenyl)piperazin-1-yl]-(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)methanone
CID 120803531
[2-(3-chlorophenyl)piperazin-1-yl]-pyrazin-2-ylmethanone;dihydrochloride
CID 120802029
[2-(3-chlorophenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone;hydrochloride
CID 120803370
[2-(3-chlorophenyl)piperazin-1-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
CID 120801878
[2-(3-chlorophenyl)piperazin-1-yl]-(5-chloro-2-pyridinyl)methanone
CID 120802965

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-chlorophenyl)piperazine-1-carbonyl]thiophene-2-carboxamide;hydrochloride?
The IUPAC name of 5-[2-(3-chlorophenyl)piperazine-1-carbonyl]thiophene-2-carboxamide;hydrochloride (CID 120802549) is 5-[2-(3-chlorophenyl)piperazine-1-carbonyl]thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-[2-(3-chlorophenyl)piperazine-1-carbonyl]thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for 5-[2-(3-chlorophenyl)piperazine-1-carbonyl]thiophene-2-carboxamide;hydrochloride is Cl.NC(=O)c1ccc(C(=O)N2CCNCC2c2cccc(Cl)c2)s1.
What is the InChIKey of 5-[2-(3-chlorophenyl)piperazine-1-carbonyl]thiophene-2-carboxamide;hydrochloride?
The InChIKey is IAOVKZNOCGBYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2S.ClH/c17-11-3-1-2-10(8-11)12-9-19-6-7-20(12)16(22)14-5-4-13(23-14)15(18)21;/h1-5,8,12,19H,6-7,9H2,(H2,18,21);1H.
What are the key properties of 5-[2-(3-chlorophenyl)piperazine-1-carbonyl]thiophene-2-carboxamide;hydrochloride?
5-[2-(3-chlorophenyl)piperazine-1-carbonyl]thiophene-2-carboxamide;hydrochloride has a molecular weight of 386.30 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-chlorophenyl)piperazine-1-carbonyl]thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 120802549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).