(3-aminophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride

C16H18ClN3O2S — CID 119689053

IUPAC(3-aminophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride
SMILESCl.Nc1cccc(C(=O)N2CCN(C(=O)c3cccs3)CC2)c1
InChIInChI=1S/C16H17N3O2S.ClH/c17-13-4-1-3-12(11-13)15(20)18-6-8-19(9-7-18)16(21)14-5-2-10-22-14;/h1-5,10-11H,6-9,17H2;1H
InChIKeyPFTYPFHRGJDNPI-UHFFFAOYSA-N
MW351.86 g/mol
LogP2.35
Rot. Bonds2

About (3-aminophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride

(3-aminophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride (PubChem CID 119689053) has the molecular formula C16H18ClN3O2S and a molecular weight of 351.86 g/mol. Its IUPAC name is (3-aminophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride
PubChem CID119689053
Molecular FormulaC16H18ClN3O2S
Molecular Weight351.86 g/mol
Exact Mass351.08
IUPAC Name(3-aminophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride
SMILESCl.Nc1cccc(C(=O)N2CCN(C(=O)c3cccs3)CC2)c1
InChIInChI=1S/C16H17N3O2S.ClH/c17-13-4-1-3-12(11-13)15(20)18-6-8-19(9-7-18)16(21)14-5-2-10-22-14;/h1-5,10-11H,6-9,17H2;1H
InChIKeyPFTYPFHRGJDNPI-UHFFFAOYSA-N
XLogP2.35
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(4-aminophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119689026
(3-aminophenyl)-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 19842351
(3-aminophenyl)-(azocan-1-yl)methanone;hydrochloride
CID 119676424
[3-(1,2-thiazol-5-yl)phenyl]-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
CID 53484622
(3-aminophenyl)-thiomorpholin-4-ylmethanone
CID 28786527
(3-aminophenyl)-thiophen-2-ylmethanone
CID 23009095
(4-aminopiperazin-1-yl)-thiophen-2-ylmethanone
CID 19791267
[4-(5-bromothiophene-3-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 38004798
1-[4-(3-aminobenzoyl)piperazin-1-yl]-2-methylpropan-1-one;hydrochloride
CID 119686678
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
(3-aminophenyl)-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]methanone;hydrochloride
CID 119747861
1-[4-(3-aminobenzoyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 119708838

Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride?
The IUPAC name of (3-aminophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride (CID 119689053) is (3-aminophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (3-aminophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for (3-aminophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride is Cl.Nc1cccc(C(=O)N2CCN(C(=O)c3cccs3)CC2)c1.
What is the InChIKey of (3-aminophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride?
The InChIKey is PFTYPFHRGJDNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S.ClH/c17-13-4-1-3-12(11-13)15(20)18-6-8-19(9-7-18)16(21)14-5-2-10-22-14;/h1-5,10-11H,6-9,17H2;1H.
What are the key properties of (3-aminophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride?
(3-aminophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride has a molecular weight of 351.86 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119689053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).