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

C23H29ClN4O2 — CID 120996516

IUPACN-methyl-N-phenyl-3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzamide;hydrochloride
SMILESCN(C(=O)c1cccc(C(=O)N2CCC(N3CCNCC3)C2)c1)c1ccccc1.Cl
InChIInChI=1S/C23H28N4O2.ClH/c1-25(20-8-3-2-4-9-20)22(28)18-6-5-7-19(16-18)23(29)27-13-10-21(17-27)26-14-11-24-12-15-26;/h2-9,16,21,24H,10-15,17H2,1H3;1H
InChIKeyKTTNWWTUIAYOHY-UHFFFAOYSA-N
MW428.96 g/mol
LogP2.50
Rot. Bonds4

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

N-methyl-N-phenyl-3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzamide;hydrochloride (PubChem CID 120996516) has the molecular formula C23H29ClN4O2 and a molecular weight of 428.96 g/mol. Its IUPAC name is N-methyl-N-phenyl-3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-phenyl-3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzamide;hydrochloride
PubChem CID120996516
Molecular FormulaC23H29ClN4O2
Molecular Weight428.96 g/mol
Exact Mass428.20
IUPAC NameN-methyl-N-phenyl-3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzamide;hydrochloride
SMILESCN(C(=O)c1cccc(C(=O)N2CCC(N3CCNCC3)C2)c1)c1ccccc1.Cl
InChIInChI=1S/C23H28N4O2.ClH/c1-25(20-8-3-2-4-9-20)22(28)18-6-5-7-19(16-18)23(29)27-13-10-21(17-27)26-14-11-24-12-15-26;/h2-9,16,21,24H,10-15,17H2,1H3;1H
InChIKeyKTTNWWTUIAYOHY-UHFFFAOYSA-N
XLogP2.50
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.96
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzamide;hydrochloride
CID 120995818
N-methyl-3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzamide;hydrochloride
CID 120995500
(3-anilinophenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120997391
(3-ethylsulfonylphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120995192
3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-N-propylbenzamide
CID 120996709
(3-nitrophenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120996882
(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
N-methyl-N-[2-(3-piperazin-1-ylpyrrolidine-1-carbonyl)phenyl]cyclopropanecarboxamide;hydrochloride
CID 120995494
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

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzamide;hydrochloride?
The IUPAC name of N-methyl-N-phenyl-3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzamide;hydrochloride (CID 120996516) is N-methyl-N-phenyl-3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzamide;hydrochloride.
What is the SMILES notation for N-methyl-N-phenyl-3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzamide;hydrochloride?
The canonical SMILES for N-methyl-N-phenyl-3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzamide;hydrochloride is CN(C(=O)c1cccc(C(=O)N2CCC(N3CCNCC3)C2)c1)c1ccccc1.Cl.
What is the InChIKey of N-methyl-N-phenyl-3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzamide;hydrochloride?
The InChIKey is KTTNWWTUIAYOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2.ClH/c1-25(20-8-3-2-4-9-20)22(28)18-6-5-7-19(16-18)23(29)27-13-10-21(17-27)26-14-11-24-12-15-26;/h2-9,16,21,24H,10-15,17H2,1H3;1H.
What are the key properties of N-methyl-N-phenyl-3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzamide;hydrochloride?
N-methyl-N-phenyl-3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzamide;hydrochloride has a molecular weight of 428.96 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzamide;hydrochloride is sourced from PubChem (CID 120996516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).