1-[4-(3-methylpiperazine-1-carbonyl)phenyl]ethanone;hydrochloride

C14H19ClN2O2 — CID 119576231

IUPAC1-[4-(3-methylpiperazine-1-carbonyl)phenyl]ethanone;hydrochloride
SMILESCC(=O)c1ccc(C(=O)N2CCNC(C)C2)cc1.Cl
InChIInChI=1S/C14H18N2O2.ClH/c1-10-9-16(8-7-15-10)14(18)13-5-3-12(4-6-13)11(2)17;/h3-6,10,15H,7-9H2,1-2H3;1H
InChIKeyGMLQBSQGKSMXOZ-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.74
Rot. Bonds2

About 1-[4-(3-methylpiperazine-1-carbonyl)phenyl]ethanone;hydrochloride

1-[4-(3-methylpiperazine-1-carbonyl)phenyl]ethanone;hydrochloride (PubChem CID 119576231) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 1-[4-(3-methylpiperazine-1-carbonyl)phenyl]ethanone;hydrochloride.

Molecular Properties

Compound Name1-[4-(3-methylpiperazine-1-carbonyl)phenyl]ethanone;hydrochloride
PubChem CID119576231
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name1-[4-(3-methylpiperazine-1-carbonyl)phenyl]ethanone;hydrochloride
SMILESCC(=O)c1ccc(C(=O)N2CCNC(C)C2)cc1.Cl
InChIInChI=1S/C14H18N2O2.ClH/c1-10-9-16(8-7-15-10)14(18)13-5-3-12(4-6-13)11(2)17;/h3-6,10,15H,7-9H2,1-2H3;1H
InChIKeyGMLQBSQGKSMXOZ-UHFFFAOYSA-N
XLogP1.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3-methylpiperazine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119576157
(4-ethylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81426419
(4-methoxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427852
1-[4-(piperazine-1-carbonyl)phenyl]ethanone
CID 82510195
(3-methylpiperazin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride
CID 119579326
[(3S)-3-methylpiperazin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone
CID 124693440
(3,5-dimethylphenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119578061
[(3R)-3-methylpiperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 104891401
[(3R)-3-methylpiperazin-1-yl]-quinoxalin-6-ylmethanone
CID 81426962
2-methyl-N-[4-(3-methylpiperazine-1-carbonyl)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119579414
(3,5-difluorophenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119576197
(4-chloro-3-methylphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 113397126

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methylpiperazine-1-carbonyl)phenyl]ethanone;hydrochloride?
The IUPAC name of 1-[4-(3-methylpiperazine-1-carbonyl)phenyl]ethanone;hydrochloride (CID 119576231) is 1-[4-(3-methylpiperazine-1-carbonyl)phenyl]ethanone;hydrochloride.
What is the SMILES notation for 1-[4-(3-methylpiperazine-1-carbonyl)phenyl]ethanone;hydrochloride?
The canonical SMILES for 1-[4-(3-methylpiperazine-1-carbonyl)phenyl]ethanone;hydrochloride is CC(=O)c1ccc(C(=O)N2CCNC(C)C2)cc1.Cl.
What is the InChIKey of 1-[4-(3-methylpiperazine-1-carbonyl)phenyl]ethanone;hydrochloride?
The InChIKey is GMLQBSQGKSMXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2.ClH/c1-10-9-16(8-7-15-10)14(18)13-5-3-12(4-6-13)11(2)17;/h3-6,10,15H,7-9H2,1-2H3;1H.
What are the key properties of 1-[4-(3-methylpiperazine-1-carbonyl)phenyl]ethanone;hydrochloride?
1-[4-(3-methylpiperazine-1-carbonyl)phenyl]ethanone;hydrochloride has a molecular weight of 282.77 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methylpiperazine-1-carbonyl)phenyl]ethanone;hydrochloride is sourced from PubChem (CID 119576231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).