4-[2-(4-cyclobutyl-3,3-dimethylpiperazine-1-carbonyl)cyclopropyl]benzamide

C21H29N3O2 — CID 67539518

IUPAC4-[2-(4-cyclobutyl-3,3-dimethylpiperazine-1-carbonyl)cyclopropyl]benzamide
SMILESCC1(C)CN(C(=O)C2CC2c2ccc(C(N)=O)cc2)CCN1C1CCC1
InChIInChI=1S/C21H29N3O2/c1-21(2)13-23(10-11-24(21)16-4-3-5-16)20(26)18-12-17(18)14-6-8-15(9-7-14)19(22)25/h6-9,16-18H,3-5,10-13H2,1-2H3,(H2,22,25)
InChIKeyDKPWUZZBSBTFDD-UHFFFAOYSA-N
MW355.48 g/mol
LogP2.36
Rot. Bonds4

About 4-[2-(4-cyclobutyl-3,3-dimethylpiperazine-1-carbonyl)cyclopropyl]benzamide

4-[2-(4-cyclobutyl-3,3-dimethylpiperazine-1-carbonyl)cyclopropyl]benzamide (PubChem CID 67539518) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 4-[2-(4-cyclobutyl-3,3-dimethylpiperazine-1-carbonyl)cyclopropyl]benzamide.

Molecular Properties

Compound Name4-[2-(4-cyclobutyl-3,3-dimethylpiperazine-1-carbonyl)cyclopropyl]benzamide
PubChem CID67539518
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name4-[2-(4-cyclobutyl-3,3-dimethylpiperazine-1-carbonyl)cyclopropyl]benzamide
SMILESCC1(C)CN(C(=O)C2CC2c2ccc(C(N)=O)cc2)CCN1C1CCC1
InChIInChI=1S/C21H29N3O2/c1-21(2)13-23(10-11-24(21)16-4-3-5-16)20(26)18-12-17(18)14-6-8-15(9-7-14)19(22)25/h6-9,16-18H,3-5,10-13H2,1-2H3,(H2,22,25)
InChIKeyDKPWUZZBSBTFDD-UHFFFAOYSA-N
XLogP2.36
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[2-(4-cyclobutyl-3,3-dimethylpiperazine-1-carbonyl)cyclopropyl]benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-cyclobutyl-3,3-dimethylpiperazine-1-carbonyl)cyclopropyl]benzamide?
The IUPAC name of 4-[2-(4-cyclobutyl-3,3-dimethylpiperazine-1-carbonyl)cyclopropyl]benzamide (CID 67539518) is 4-[2-(4-cyclobutyl-3,3-dimethylpiperazine-1-carbonyl)cyclopropyl]benzamide.
What is the SMILES notation for 4-[2-(4-cyclobutyl-3,3-dimethylpiperazine-1-carbonyl)cyclopropyl]benzamide?
The canonical SMILES for 4-[2-(4-cyclobutyl-3,3-dimethylpiperazine-1-carbonyl)cyclopropyl]benzamide is CC1(C)CN(C(=O)C2CC2c2ccc(C(N)=O)cc2)CCN1C1CCC1.
What is the InChIKey of 4-[2-(4-cyclobutyl-3,3-dimethylpiperazine-1-carbonyl)cyclopropyl]benzamide?
The InChIKey is DKPWUZZBSBTFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-21(2)13-23(10-11-24(21)16-4-3-5-16)20(26)18-12-17(18)14-6-8-15(9-7-14)19(22)25/h6-9,16-18H,3-5,10-13H2,1-2H3,(H2,22,25).
What are the key properties of 4-[2-(4-cyclobutyl-3,3-dimethylpiperazine-1-carbonyl)cyclopropyl]benzamide?
4-[2-(4-cyclobutyl-3,3-dimethylpiperazine-1-carbonyl)cyclopropyl]benzamide has a molecular weight of 355.48 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-cyclobutyl-3,3-dimethylpiperazine-1-carbonyl)cyclopropyl]benzamide is sourced from PubChem (CID 67539518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).