(9-butyl-5,6,7,8-tetrahydrocarbazol-3-yl)-(4-hydroxypiperidin-1-yl)methanone

C22H30N2O2 — CID 143849927

IUPAC(9-butyl-5,6,7,8-tetrahydrocarbazol-3-yl)-(4-hydroxypiperidin-1-yl)methanone
SMILESCCCCn1c2c(c3cc(C(=O)N4CCC(O)CC4)ccc31)CCCC2
InChIInChI=1S/C22H30N2O2/c1-2-3-12-24-20-7-5-4-6-18(20)19-15-16(8-9-21(19)24)22(26)23-13-10-17(25)11-14-23/h8-9,15,17,25H,2-7,10-14H2,1H3
InChIKeySKFMCICAAPBMRN-UHFFFAOYSA-N
MW354.49 g/mol
LogP3.92
Rot. Bonds4

About (9-butyl-5,6,7,8-tetrahydrocarbazol-3-yl)-(4-hydroxypiperidin-1-yl)methanone

(9-butyl-5,6,7,8-tetrahydrocarbazol-3-yl)-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 143849927) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is (9-butyl-5,6,7,8-tetrahydrocarbazol-3-yl)-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(9-butyl-5,6,7,8-tetrahydrocarbazol-3-yl)-(4-hydroxypiperidin-1-yl)methanone
PubChem CID143849927
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name(9-butyl-5,6,7,8-tetrahydrocarbazol-3-yl)-(4-hydroxypiperidin-1-yl)methanone
SMILESCCCCn1c2c(c3cc(C(=O)N4CCC(O)CC4)ccc31)CCCC2
InChIInChI=1S/C22H30N2O2/c1-2-3-12-24-20-7-5-4-6-18(20)19-15-16(8-9-21(19)24)22(26)23-13-10-17(25)11-14-23/h8-9,15,17,25H,2-7,10-14H2,1H3
InChIKeySKFMCICAAPBMRN-UHFFFAOYSA-N
XLogP3.92
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze (9-butyl-5,6,7,8-tetrahydrocarbazol-3-yl)-(4-hydroxypiperidin-1-yl)methanone 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-butyl-5,6,7,8-tetrahydrocarbazol-3-yl)-(4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of (9-butyl-5,6,7,8-tetrahydrocarbazol-3-yl)-(4-hydroxypiperidin-1-yl)methanone (CID 143849927) is (9-butyl-5,6,7,8-tetrahydrocarbazol-3-yl)-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for (9-butyl-5,6,7,8-tetrahydrocarbazol-3-yl)-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for (9-butyl-5,6,7,8-tetrahydrocarbazol-3-yl)-(4-hydroxypiperidin-1-yl)methanone is CCCCn1c2c(c3cc(C(=O)N4CCC(O)CC4)ccc31)CCCC2.
What is the InChIKey of (9-butyl-5,6,7,8-tetrahydrocarbazol-3-yl)-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is SKFMCICAAPBMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-2-3-12-24-20-7-5-4-6-18(20)19-15-16(8-9-21(19)24)22(26)23-13-10-17(25)11-14-23/h8-9,15,17,25H,2-7,10-14H2,1H3.
What are the key properties of (9-butyl-5,6,7,8-tetrahydrocarbazol-3-yl)-(4-hydroxypiperidin-1-yl)methanone?
(9-butyl-5,6,7,8-tetrahydrocarbazol-3-yl)-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 354.49 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9-butyl-5,6,7,8-tetrahydrocarbazol-3-yl)-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 143849927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).