[9-(oxan-4-ylmethyl)carbazol-3-yl]-piperidin-1-ylmethanone

C24H28N2O2 — CID 56651357

IUPAC[9-(oxan-4-ylmethyl)carbazol-3-yl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc2c(c1)c1ccccc1n2CC1CCOCC1)N1CCCCC1
InChIInChI=1S/C24H28N2O2/c27-24(25-12-4-1-5-13-25)19-8-9-23-21(16-19)20-6-2-3-7-22(20)26(23)17-18-10-14-28-15-11-18/h2-3,6-9,16,18H,1,4-5,10-15,17H2
InChIKeyXPJGJCQEVSPUAG-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.85
Rot. Bonds3

About [9-(oxan-4-ylmethyl)carbazol-3-yl]-piperidin-1-ylmethanone

[9-(oxan-4-ylmethyl)carbazol-3-yl]-piperidin-1-ylmethanone (PubChem CID 56651357) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is [9-(oxan-4-ylmethyl)carbazol-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[9-(oxan-4-ylmethyl)carbazol-3-yl]-piperidin-1-ylmethanone
PubChem CID56651357
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name[9-(oxan-4-ylmethyl)carbazol-3-yl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc2c(c1)c1ccccc1n2CC1CCOCC1)N1CCCCC1
InChIInChI=1S/C24H28N2O2/c27-24(25-12-4-1-5-13-25)19-8-9-23-21(16-19)20-6-2-3-7-22(20)26(23)17-18-10-14-28-15-11-18/h2-3,6-9,16,18H,1,4-5,10-15,17H2
InChIKeyXPJGJCQEVSPUAG-UHFFFAOYSA-N
XLogP4.85
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [9-(oxan-4-ylmethyl)carbazol-3-yl]-piperidin-1-ylmethanone 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 [9-(oxan-4-ylmethyl)carbazol-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [9-(oxan-4-ylmethyl)carbazol-3-yl]-piperidin-1-ylmethanone (CID 56651357) is [9-(oxan-4-ylmethyl)carbazol-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [9-(oxan-4-ylmethyl)carbazol-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [9-(oxan-4-ylmethyl)carbazol-3-yl]-piperidin-1-ylmethanone is O=C(c1ccc2c(c1)c1ccccc1n2CC1CCOCC1)N1CCCCC1.
What is the InChIKey of [9-(oxan-4-ylmethyl)carbazol-3-yl]-piperidin-1-ylmethanone?
The InChIKey is XPJGJCQEVSPUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c27-24(25-12-4-1-5-13-25)19-8-9-23-21(16-19)20-6-2-3-7-22(20)26(23)17-18-10-14-28-15-11-18/h2-3,6-9,16,18H,1,4-5,10-15,17H2.
What are the key properties of [9-(oxan-4-ylmethyl)carbazol-3-yl]-piperidin-1-ylmethanone?
[9-(oxan-4-ylmethyl)carbazol-3-yl]-piperidin-1-ylmethanone has a molecular weight of 376.50 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [9-(oxan-4-ylmethyl)carbazol-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 56651357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).