2-chloro-N-(1-cyclobutylpyrrolidin-3-yl)-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide

C23H34ClN3O2 — CID 127036391

IUPAC2-chloro-N-(1-cyclobutylpyrrolidin-3-yl)-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
SMILESCC(C)N1CCC(Oc2ccc(C(=O)NC3CCN(C4CCC4)C3)c(Cl)c2)CC1
InChIInChI=1S/C23H34ClN3O2/c1-16(2)26-12-9-19(10-13-26)29-20-6-7-21(22(24)14-20)23(28)25-17-8-11-27(15-17)18-4-3-5-18/h6-7,14,16-19H,3-5,8-13,15H2,1-2H3,(H,25,28)
InChIKeySLQDBWKVZSVXNR-UHFFFAOYSA-N
MW420.00 g/mol
LogP3.95
Rot. Bonds6

About 2-chloro-N-(1-cyclobutylpyrrolidin-3-yl)-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide

2-chloro-N-(1-cyclobutylpyrrolidin-3-yl)-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide (PubChem CID 127036391) has the molecular formula C23H34ClN3O2 and a molecular weight of 420.00 g/mol. Its IUPAC name is 2-chloro-N-(1-cyclobutylpyrrolidin-3-yl)-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide.

Molecular Properties

Compound Name2-chloro-N-(1-cyclobutylpyrrolidin-3-yl)-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
PubChem CID127036391
Molecular FormulaC23H34ClN3O2
Molecular Weight420.00 g/mol
Exact Mass419.23
IUPAC Name2-chloro-N-(1-cyclobutylpyrrolidin-3-yl)-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
SMILESCC(C)N1CCC(Oc2ccc(C(=O)NC3CCN(C4CCC4)C3)c(Cl)c2)CC1
InChIInChI=1S/C23H34ClN3O2/c1-16(2)26-12-9-19(10-13-26)29-20-6-7-21(22(24)14-20)23(28)25-17-8-11-27(15-17)18-4-3-5-18/h6-7,14,16-19H,3-5,8-13,15H2,1-2H3,(H,25,28)
InChIKeySLQDBWKVZSVXNR-UHFFFAOYSA-N
XLogP3.95
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.00
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-(1-cyclobutylpyrrolidin-3-yl)-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide 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 2-chloro-N-(1-cyclobutylpyrrolidin-3-yl)-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide?
The IUPAC name of 2-chloro-N-(1-cyclobutylpyrrolidin-3-yl)-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide (CID 127036391) is 2-chloro-N-(1-cyclobutylpyrrolidin-3-yl)-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide.
What is the SMILES notation for 2-chloro-N-(1-cyclobutylpyrrolidin-3-yl)-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide?
The canonical SMILES for 2-chloro-N-(1-cyclobutylpyrrolidin-3-yl)-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide is CC(C)N1CCC(Oc2ccc(C(=O)NC3CCN(C4CCC4)C3)c(Cl)c2)CC1.
What is the InChIKey of 2-chloro-N-(1-cyclobutylpyrrolidin-3-yl)-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide?
The InChIKey is SLQDBWKVZSVXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34ClN3O2/c1-16(2)26-12-9-19(10-13-26)29-20-6-7-21(22(24)14-20)23(28)25-17-8-11-27(15-17)18-4-3-5-18/h6-7,14,16-19H,3-5,8-13,15H2,1-2H3,(H,25,28).
What are the key properties of 2-chloro-N-(1-cyclobutylpyrrolidin-3-yl)-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide?
2-chloro-N-(1-cyclobutylpyrrolidin-3-yl)-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide has a molecular weight of 420.00 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-cyclobutylpyrrolidin-3-yl)-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide is sourced from PubChem (CID 127036391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).