N-methyl-3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzamide;hydrochloride

C17H25ClN4O2 — CID 120995500

IUPACN-methyl-3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzamide;hydrochloride
SMILESCNC(=O)c1cccc(C(=O)N2CCC(N3CCNCC3)C2)c1.Cl
InChIInChI=1S/C17H24N4O2.ClH/c1-18-16(22)13-3-2-4-14(11-13)17(23)21-8-5-15(12-21)20-9-6-19-7-10-20;/h2-4,11,15,19H,5-10,12H2,1H3,(H,18,22);1H
InChIKeyUJVCZQIHFATWCJ-UHFFFAOYSA-N
MW352.87 g/mol
LogP0.59
Rot. Bonds3

About N-methyl-3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzamide;hydrochloride

N-methyl-3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzamide;hydrochloride (PubChem CID 120995500) has the molecular formula C17H25ClN4O2 and a molecular weight of 352.87 g/mol. Its IUPAC name is N-methyl-3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzamide;hydrochloride
PubChem CID120995500
Molecular FormulaC17H25ClN4O2
Molecular Weight352.87 g/mol
Exact Mass352.17
IUPAC NameN-methyl-3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzamide;hydrochloride
SMILESCNC(=O)c1cccc(C(=O)N2CCC(N3CCNCC3)C2)c1.Cl
InChIInChI=1S/C17H24N4O2.ClH/c1-18-16(22)13-3-2-4-14(11-13)17(23)21-8-5-15(12-21)20-9-6-19-7-10-20;/h2-4,11,15,19H,5-10,12H2,1H3,(H,18,22);1H
InChIKeyUJVCZQIHFATWCJ-UHFFFAOYSA-N
XLogP0.59
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-N-propylbenzamide
CID 120996709
N,N-dimethyl-3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzamide;hydrochloride
CID 120995818
(3-anilinophenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120997391
N-methyl-N-phenyl-3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzamide;hydrochloride
CID 120996516
(3-ethylsulfonylphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120995192
N-methyl-5-(3-piperazin-1-ylpyrrolidine-1-carbonyl)pyridine-2-carboxamide;hydrochloride
CID 120996292
(3-nitrophenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120996882
N-[3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)phenyl]cyclohexanecarboxamide;hydrochloride
CID 120995374
4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-N-propan-2-ylbenzamide;hydrochloride
CID 120995696
(3,5-dimethylphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120994448
N-[4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 120997852
[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120998010

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzamide;hydrochloride?
The IUPAC name of N-methyl-3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzamide;hydrochloride (CID 120995500) is N-methyl-3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzamide;hydrochloride.
What is the SMILES notation for N-methyl-3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzamide;hydrochloride?
The canonical SMILES for N-methyl-3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzamide;hydrochloride is CNC(=O)c1cccc(C(=O)N2CCC(N3CCNCC3)C2)c1.Cl.
What is the InChIKey of N-methyl-3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzamide;hydrochloride?
The InChIKey is UJVCZQIHFATWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2.ClH/c1-18-16(22)13-3-2-4-14(11-13)17(23)21-8-5-15(12-21)20-9-6-19-7-10-20;/h2-4,11,15,19H,5-10,12H2,1H3,(H,18,22);1H.
What are the key properties of N-methyl-3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzamide;hydrochloride?
N-methyl-3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzamide;hydrochloride has a molecular weight of 352.87 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzamide;hydrochloride is sourced from PubChem (CID 120995500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).