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

C18H27ClN4O2 — CID 120995818

IUPACN,N-dimethyl-3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzamide;hydrochloride
SMILESCN(C)C(=O)c1cccc(C(=O)N2CCC(N3CCNCC3)C2)c1.Cl
InChIInChI=1S/C18H26N4O2.ClH/c1-20(2)17(23)14-4-3-5-15(12-14)18(24)22-9-6-16(13-22)21-10-7-19-8-11-21;/h3-5,12,16,19H,6-11,13H2,1-2H3;1H
InChIKeyCAULENVKTPQKJN-UHFFFAOYSA-N
MW366.89 g/mol
LogP0.93
Rot. Bonds3

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

N,N-dimethyl-3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzamide;hydrochloride (PubChem CID 120995818) has the molecular formula C18H27ClN4O2 and a molecular weight of 366.89 g/mol. Its IUPAC name is N,N-dimethyl-3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzamide;hydrochloride
PubChem CID120995818
Molecular FormulaC18H27ClN4O2
Molecular Weight366.89 g/mol
Exact Mass366.18
IUPAC NameN,N-dimethyl-3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzamide;hydrochloride
SMILESCN(C)C(=O)c1cccc(C(=O)N2CCC(N3CCNCC3)C2)c1.Cl
InChIInChI=1S/C18H26N4O2.ClH/c1-20(2)17(23)14-4-3-5-15(12-14)18(24)22-9-6-16(13-22)21-10-7-19-8-11-21;/h3-5,12,16,19H,6-11,13H2,1-2H3;1H
InChIKeyCAULENVKTPQKJN-UHFFFAOYSA-N
XLogP0.93
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.89
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-phenyl-3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzamide;hydrochloride
CID 120996516
N-methyl-3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzamide;hydrochloride
CID 120995500
3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-N-propylbenzamide
CID 120996709
(3-ethylsulfonylphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120995192
(3-anilinophenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120997391
(3-nitrophenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120996882
(3,5-dimethylphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120994448
[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120998010
N-[3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)phenyl]cyclohexanecarboxamide;hydrochloride
CID 120995374
(3-piperazin-1-ylpyrrolidin-1-yl)-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methanone;hydrochloride
CID 120994357
N-[4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 120997852
(3,4-dipropoxyphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120996428

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzamide;hydrochloride?
The IUPAC name of N,N-dimethyl-3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzamide;hydrochloride (CID 120995818) is N,N-dimethyl-3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzamide;hydrochloride.
What is the SMILES notation for N,N-dimethyl-3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzamide;hydrochloride?
The canonical SMILES for N,N-dimethyl-3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzamide;hydrochloride is CN(C)C(=O)c1cccc(C(=O)N2CCC(N3CCNCC3)C2)c1.Cl.
What is the InChIKey of N,N-dimethyl-3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzamide;hydrochloride?
The InChIKey is CAULENVKTPQKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2.ClH/c1-20(2)17(23)14-4-3-5-15(12-14)18(24)22-9-6-16(13-22)21-10-7-19-8-11-21;/h3-5,12,16,19H,6-11,13H2,1-2H3;1H.
What are the key properties of N,N-dimethyl-3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzamide;hydrochloride?
N,N-dimethyl-3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzamide;hydrochloride has a molecular weight of 366.89 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzamide;hydrochloride is sourced from PubChem (CID 120995818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).