4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-N-propan-2-ylbenzamide;hydrochloride

C19H29ClN4O2 — CID 120995696

IUPAC4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-N-propan-2-ylbenzamide;hydrochloride
SMILESCC(C)NC(=O)c1ccc(C(=O)N2CCC(N3CCNCC3)C2)cc1.Cl
InChIInChI=1S/C19H28N4O2.ClH/c1-14(2)21-18(24)15-3-5-16(6-4-15)19(25)23-10-7-17(13-23)22-11-8-20-9-12-22;/h3-6,14,17,20H,7-13H2,1-2H3,(H,21,24);1H
InChIKeyQEJIQSNKYJBFFB-UHFFFAOYSA-N
MW380.92 g/mol
LogP1.37
Rot. Bonds4

About 4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-N-propan-2-ylbenzamide;hydrochloride

4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-N-propan-2-ylbenzamide;hydrochloride (PubChem CID 120995696) has the molecular formula C19H29ClN4O2 and a molecular weight of 380.92 g/mol. Its IUPAC name is 4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-N-propan-2-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-N-propan-2-ylbenzamide;hydrochloride
PubChem CID120995696
Molecular FormulaC19H29ClN4O2
Molecular Weight380.92 g/mol
Exact Mass380.20
IUPAC Name4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-N-propan-2-ylbenzamide;hydrochloride
SMILESCC(C)NC(=O)c1ccc(C(=O)N2CCC(N3CCNCC3)C2)cc1.Cl
InChIInChI=1S/C19H28N4O2.ClH/c1-14(2)21-18(24)15-3-5-16(6-4-15)19(25)23-10-7-17(13-23)22-11-8-20-9-12-22;/h3-6,14,17,20H,7-13H2,1-2H3,(H,21,24);1H
InChIKeyQEJIQSNKYJBFFB-UHFFFAOYSA-N
XLogP1.37
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.92
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-N-propan-2-ylbenzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-[4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)phenyl]propanamide;hydrochloride
CID 120997281
N-[4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 120997852
(3-piperazin-1-ylpyrrolidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 120995892
N-butan-2-yl-4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 120994656
[4-(2-methoxyethylsulfonyl)phenyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120996500
(3-piperazin-1-ylpyrrolidin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone;hydrochloride
CID 120995898
N-methyl-3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzamide;hydrochloride
CID 120995500
N-methyl-5-(3-piperazin-1-ylpyrrolidine-1-carbonyl)pyridine-2-carboxamide;hydrochloride
CID 120996292
2,2-dimethyl-N-[[4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)phenyl]methyl]propanamide;hydrochloride
CID 120997636
N-tert-butyl-4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 120997534
(3,5-dimethylphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120994448
N-cyclopropyl-4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 120996105

Frequently Asked Questions

What is the IUPAC name of 4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-N-propan-2-ylbenzamide;hydrochloride?
The IUPAC name of 4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-N-propan-2-ylbenzamide;hydrochloride (CID 120995696) is 4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-N-propan-2-ylbenzamide;hydrochloride.
What is the SMILES notation for 4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-N-propan-2-ylbenzamide;hydrochloride?
The canonical SMILES for 4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-N-propan-2-ylbenzamide;hydrochloride is CC(C)NC(=O)c1ccc(C(=O)N2CCC(N3CCNCC3)C2)cc1.Cl.
What is the InChIKey of 4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-N-propan-2-ylbenzamide;hydrochloride?
The InChIKey is QEJIQSNKYJBFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2.ClH/c1-14(2)21-18(24)15-3-5-16(6-4-15)19(25)23-10-7-17(13-23)22-11-8-20-9-12-22;/h3-6,14,17,20H,7-13H2,1-2H3,(H,21,24);1H.
What are the key properties of 4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-N-propan-2-ylbenzamide;hydrochloride?
4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-N-propan-2-ylbenzamide;hydrochloride has a molecular weight of 380.92 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-N-propan-2-ylbenzamide;hydrochloride is sourced from PubChem (CID 120995696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).