[2-(3-methylpiperazine-1-carbonyl)phenyl]-thiophen-2-ylmethanone;hydrochloride

C17H19ClN2O2S — CID 119579880

IUPAC[2-(3-methylpiperazine-1-carbonyl)phenyl]-thiophen-2-ylmethanone;hydrochloride
SMILESCC1CN(C(=O)c2ccccc2C(=O)c2cccs2)CCN1.Cl
InChIInChI=1S/C17H18N2O2S.ClH/c1-12-11-19(9-8-18-12)17(21)14-6-3-2-5-13(14)16(20)15-7-4-10-22-15;/h2-7,10,12,18H,8-9,11H2,1H3;1H
InChIKeyISAOWWKYQDBISU-UHFFFAOYSA-N
MW350.87 g/mol
LogP2.83
Rot. Bonds3

About [2-(3-methylpiperazine-1-carbonyl)phenyl]-thiophen-2-ylmethanone;hydrochloride

[2-(3-methylpiperazine-1-carbonyl)phenyl]-thiophen-2-ylmethanone;hydrochloride (PubChem CID 119579880) has the molecular formula C17H19ClN2O2S and a molecular weight of 350.87 g/mol. Its IUPAC name is [2-(3-methylpiperazine-1-carbonyl)phenyl]-thiophen-2-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[2-(3-methylpiperazine-1-carbonyl)phenyl]-thiophen-2-ylmethanone;hydrochloride
PubChem CID119579880
Molecular FormulaC17H19ClN2O2S
Molecular Weight350.87 g/mol
Exact Mass350.09
IUPAC Name[2-(3-methylpiperazine-1-carbonyl)phenyl]-thiophen-2-ylmethanone;hydrochloride
SMILESCC1CN(C(=O)c2ccccc2C(=O)c2cccs2)CCN1.Cl
InChIInChI=1S/C17H18N2O2S.ClH/c1-12-11-19(9-8-18-12)17(21)14-6-3-2-5-13(14)16(20)15-7-4-10-22-15;/h2-7,10,12,18H,8-9,11H2,1H3;1H
InChIKeyISAOWWKYQDBISU-UHFFFAOYSA-N
XLogP2.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.87
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-chlorophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427998
[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]phenyl]-thiophen-2-ylmethanone
CID 9489927
(2-iodophenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81426406
(3,4-dimethylphenyl)-[2-(3-methylpiperazine-1-carbonyl)phenyl]methanone
CID 119580638
[2-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]-thiophen-2-ylmethanone;hydrochloride
CID 119398089
(5-methyl-1,4-diazepan-1-yl)-thiophen-2-ylmethanone
CID 82242378
(2R)-4-[2-(thiophene-2-carbonyl)benzoyl]morpholine-2-carboxylic acid
CID 125152797
(2-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone
CID 50999804
(2,3-dihydroxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 104894013
(3-methylpiperazin-1-yl)-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone
CID 119576927
(2-chlorophenyl)-(3-methyl-1,4-diazepan-1-yl)methanone
CID 82245120
(2,3-dichlorophenyl)-(3-methylpiperazin-1-yl)methanone
CID 65449557

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylpiperazine-1-carbonyl)phenyl]-thiophen-2-ylmethanone;hydrochloride?
The IUPAC name of [2-(3-methylpiperazine-1-carbonyl)phenyl]-thiophen-2-ylmethanone;hydrochloride (CID 119579880) is [2-(3-methylpiperazine-1-carbonyl)phenyl]-thiophen-2-ylmethanone;hydrochloride.
What is the SMILES notation for [2-(3-methylpiperazine-1-carbonyl)phenyl]-thiophen-2-ylmethanone;hydrochloride?
The canonical SMILES for [2-(3-methylpiperazine-1-carbonyl)phenyl]-thiophen-2-ylmethanone;hydrochloride is CC1CN(C(=O)c2ccccc2C(=O)c2cccs2)CCN1.Cl.
What is the InChIKey of [2-(3-methylpiperazine-1-carbonyl)phenyl]-thiophen-2-ylmethanone;hydrochloride?
The InChIKey is ISAOWWKYQDBISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S.ClH/c1-12-11-19(9-8-18-12)17(21)14-6-3-2-5-13(14)16(20)15-7-4-10-22-15;/h2-7,10,12,18H,8-9,11H2,1H3;1H.
What are the key properties of [2-(3-methylpiperazine-1-carbonyl)phenyl]-thiophen-2-ylmethanone;hydrochloride?
[2-(3-methylpiperazine-1-carbonyl)phenyl]-thiophen-2-ylmethanone;hydrochloride has a molecular weight of 350.87 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylpiperazine-1-carbonyl)phenyl]-thiophen-2-ylmethanone;hydrochloride is sourced from PubChem (CID 119579880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).