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

C14H20ClN3O2 — CID 119576157

IUPACN-[4-(3-methylpiperazine-1-carbonyl)phenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccc(C(=O)N2CCNC(C)C2)cc1.Cl
InChIInChI=1S/C14H19N3O2.ClH/c1-10-9-17(8-7-15-10)14(19)12-3-5-13(6-4-12)16-11(2)18;/h3-6,10,15H,7-9H2,1-2H3,(H,16,18);1H
InChIKeyYWELLAWWWCHQHQ-UHFFFAOYSA-N
MW297.79 g/mol
LogP1.50
Rot. Bonds2

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

N-[4-(3-methylpiperazine-1-carbonyl)phenyl]acetamide;hydrochloride (PubChem CID 119576157) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is N-[4-(3-methylpiperazine-1-carbonyl)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(3-methylpiperazine-1-carbonyl)phenyl]acetamide;hydrochloride
PubChem CID119576157
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC NameN-[4-(3-methylpiperazine-1-carbonyl)phenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccc(C(=O)N2CCNC(C)C2)cc1.Cl
InChIInChI=1S/C14H19N3O2.ClH/c1-10-9-17(8-7-15-10)14(19)12-3-5-13(6-4-12)16-11(2)18;/h3-6,10,15H,7-9H2,1-2H3,(H,16,18);1H
InChIKeyYWELLAWWWCHQHQ-UHFFFAOYSA-N
XLogP1.50
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[4-(3-methylpiperazine-1-carbonyl)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119579414
1-[4-(3-methylpiperazine-1-carbonyl)phenyl]ethanone;hydrochloride
CID 119576231
N-[4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 120997852
(4-ethylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81426419
(4-methoxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427852
N-[4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenyl]acetamide
CID 119634838
N-[4-(3-hydroxypyrrolidine-1-carbonyl)phenyl]acetamide
CID 62918779
(3S)-3-methyl-N-phenylpiperazine-1-carboxamide;hydrochloride
CID 166001504
4-fluoro-N-[4-(3-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 119578076
(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

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylpiperazine-1-carbonyl)phenyl]acetamide;hydrochloride?
The IUPAC name of N-[4-(3-methylpiperazine-1-carbonyl)phenyl]acetamide;hydrochloride (CID 119576157) is N-[4-(3-methylpiperazine-1-carbonyl)phenyl]acetamide;hydrochloride.
What is the SMILES notation for N-[4-(3-methylpiperazine-1-carbonyl)phenyl]acetamide;hydrochloride?
The canonical SMILES for N-[4-(3-methylpiperazine-1-carbonyl)phenyl]acetamide;hydrochloride is CC(=O)Nc1ccc(C(=O)N2CCNC(C)C2)cc1.Cl.
What is the InChIKey of N-[4-(3-methylpiperazine-1-carbonyl)phenyl]acetamide;hydrochloride?
The InChIKey is YWELLAWWWCHQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2.ClH/c1-10-9-17(8-7-15-10)14(19)12-3-5-13(6-4-12)16-11(2)18;/h3-6,10,15H,7-9H2,1-2H3,(H,16,18);1H.
What are the key properties of N-[4-(3-methylpiperazine-1-carbonyl)phenyl]acetamide;hydrochloride?
N-[4-(3-methylpiperazine-1-carbonyl)phenyl]acetamide;hydrochloride has a molecular weight of 297.79 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylpiperazine-1-carbonyl)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 119576157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).