3-cyclobutyl-7-(piperidin-4-ylmethoxy)-1,2,4,5-tetrahydro-3-benzazepine

C20H30N2O — CID 68509511

IUPAC3-cyclobutyl-7-(piperidin-4-ylmethoxy)-1,2,4,5-tetrahydro-3-benzazepine
SMILESc1cc2c(cc1OCC1CCNCC1)CCN(C1CCC1)CC2
InChIInChI=1S/C20H30N2O/c1-2-19(3-1)22-12-8-17-4-5-20(14-18(17)9-13-22)23-15-16-6-10-21-11-7-16/h4-5,14,16,19,21H,1-3,6-13,15H2
InChIKeyFZXJCOVWXQDATF-UHFFFAOYSA-N
MW314.47 g/mol
LogP3.02
Rot. Bonds4

About 3-cyclobutyl-7-(piperidin-4-ylmethoxy)-1,2,4,5-tetrahydro-3-benzazepine

3-cyclobutyl-7-(piperidin-4-ylmethoxy)-1,2,4,5-tetrahydro-3-benzazepine (PubChem CID 68509511) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is 3-cyclobutyl-7-(piperidin-4-ylmethoxy)-1,2,4,5-tetrahydro-3-benzazepine.

Molecular Properties

Compound Name3-cyclobutyl-7-(piperidin-4-ylmethoxy)-1,2,4,5-tetrahydro-3-benzazepine
PubChem CID68509511
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC Name3-cyclobutyl-7-(piperidin-4-ylmethoxy)-1,2,4,5-tetrahydro-3-benzazepine
SMILESc1cc2c(cc1OCC1CCNCC1)CCN(C1CCC1)CC2
InChIInChI=1S/C20H30N2O/c1-2-19(3-1)22-12-8-17-4-5-20(14-18(17)9-13-22)23-15-16-6-10-21-11-7-16/h4-5,14,16,19,21H,1-3,6-13,15H2
InChIKeyFZXJCOVWXQDATF-UHFFFAOYSA-N
XLogP3.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-cyclobutyl-7-(piperidin-4-ylmethoxy)-1,2,4,5-tetrahydro-3-benzazepine 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 3-cyclobutyl-7-(piperidin-4-ylmethoxy)-1,2,4,5-tetrahydro-3-benzazepine?
The IUPAC name of 3-cyclobutyl-7-(piperidin-4-ylmethoxy)-1,2,4,5-tetrahydro-3-benzazepine (CID 68509511) is 3-cyclobutyl-7-(piperidin-4-ylmethoxy)-1,2,4,5-tetrahydro-3-benzazepine.
What is the SMILES notation for 3-cyclobutyl-7-(piperidin-4-ylmethoxy)-1,2,4,5-tetrahydro-3-benzazepine?
The canonical SMILES for 3-cyclobutyl-7-(piperidin-4-ylmethoxy)-1,2,4,5-tetrahydro-3-benzazepine is c1cc2c(cc1OCC1CCNCC1)CCN(C1CCC1)CC2.
What is the InChIKey of 3-cyclobutyl-7-(piperidin-4-ylmethoxy)-1,2,4,5-tetrahydro-3-benzazepine?
The InChIKey is FZXJCOVWXQDATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O/c1-2-19(3-1)22-12-8-17-4-5-20(14-18(17)9-13-22)23-15-16-6-10-21-11-7-16/h4-5,14,16,19,21H,1-3,6-13,15H2.
What are the key properties of 3-cyclobutyl-7-(piperidin-4-ylmethoxy)-1,2,4,5-tetrahydro-3-benzazepine?
3-cyclobutyl-7-(piperidin-4-ylmethoxy)-1,2,4,5-tetrahydro-3-benzazepine has a molecular weight of 314.47 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-7-(piperidin-4-ylmethoxy)-1,2,4,5-tetrahydro-3-benzazepine is sourced from PubChem (CID 68509511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).