N-cyclopropyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide

C20H22N4O2 — CID 109050733

IUPACN-cyclopropyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide
SMILESO=C(NC1CC1)c1cccc(C(=O)N2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C20H22N4O2/c25-19(22-17-7-8-17)15-4-3-5-16(14-15)20(26)24-12-10-23(11-13-24)18-6-1-2-9-21-18/h1-6,9,14,17H,7-8,10-13H2,(H,22,25)
InChIKeyVNMRASNUUCELCV-UHFFFAOYSA-N
MW350.42 g/mol
LogP1.94
Rot. Bonds4

About N-cyclopropyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide

N-cyclopropyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide (PubChem CID 109050733) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-cyclopropyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide
PubChem CID109050733
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-cyclopropyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide
SMILESO=C(NC1CC1)c1cccc(C(=O)N2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C20H22N4O2/c25-19(22-17-7-8-17)15-4-3-5-16(14-15)20(26)24-12-10-23(11-13-24)18-6-1-2-9-21-18/h1-6,9,14,17H,7-8,10-13H2,(H,22,25)
InChIKeyVNMRASNUUCELCV-UHFFFAOYSA-N
XLogP1.94
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide 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

3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzoic acid
CID 82183749
N-cyclopropyl-6-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109093874
(4-methylpiperazin-1-yl)-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methanone
CID 109053532
N-prop-2-enyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide
CID 109050927
N-cyclohexyl-3-(4-phenylpiperazine-1-carbonyl)benzamide
CID 109052171
N-cycloheptyl-3-(pyrrolidine-1-carbonyl)benzamide
CID 109051684
N-cyclopropyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)-1,3-thiazole-2-carboxamide
CID 53158464
N-cyclopentyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109249585
(3-pyrazolidin-4-ylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 133108023
[2-(azepan-1-yl)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109174556
N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide
CID 99697085
[2-(2,6-dimethylanilino)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109174568

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide?
The IUPAC name of N-cyclopropyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide (CID 109050733) is N-cyclopropyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide.
What is the SMILES notation for N-cyclopropyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide?
The canonical SMILES for N-cyclopropyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide is O=C(NC1CC1)c1cccc(C(=O)N2CCN(c3ccccn3)CC2)c1.
What is the InChIKey of N-cyclopropyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide?
The InChIKey is VNMRASNUUCELCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c25-19(22-17-7-8-17)15-4-3-5-16(14-15)20(26)24-12-10-23(11-13-24)18-6-1-2-9-21-18/h1-6,9,14,17H,7-8,10-13H2,(H,22,25).
What are the key properties of N-cyclopropyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide?
N-cyclopropyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide has a molecular weight of 350.42 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide is sourced from PubChem (CID 109050733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).