[3-[2-(4-cyclohexylpiperidin-1-yl)ethyl]-5-methoxy-2-methylindol-1-yl]-(4-fluorophenyl)methanone

C30H37FN2O2 — CID 21313326

IUPAC[3-[2-(4-cyclohexylpiperidin-1-yl)ethyl]-5-methoxy-2-methylindol-1-yl]-(4-fluorophenyl)methanone
SMILESCOc1ccc2c(c1)c(CCN1CCC(C3CCCCC3)CC1)c(C)n2C(=O)c1ccc(F)cc1
InChIInChI=1S/C30H37FN2O2/c1-21-27(16-19-32-17-14-23(15-18-32)22-6-4-3-5-7-22)28-20-26(35-2)12-13-29(28)33(21)30(34)24-8-10-25(31)11-9-24/h8-13,20,22-23H,3-7,14-19H2,1-2H3
InChIKeyOLHFUSZDIDTDGV-UHFFFAOYSA-N
MW476.64 g/mol
LogP6.62
Rot. Bonds6

About [3-[2-(4-cyclohexylpiperidin-1-yl)ethyl]-5-methoxy-2-methylindol-1-yl]-(4-fluorophenyl)methanone

[3-[2-(4-cyclohexylpiperidin-1-yl)ethyl]-5-methoxy-2-methylindol-1-yl]-(4-fluorophenyl)methanone (PubChem CID 21313326) has the molecular formula C30H37FN2O2 and a molecular weight of 476.64 g/mol. Its IUPAC name is [3-[2-(4-cyclohexylpiperidin-1-yl)ethyl]-5-methoxy-2-methylindol-1-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[3-[2-(4-cyclohexylpiperidin-1-yl)ethyl]-5-methoxy-2-methylindol-1-yl]-(4-fluorophenyl)methanone
PubChem CID21313326
Molecular FormulaC30H37FN2O2
Molecular Weight476.64 g/mol
Exact Mass476.28
IUPAC Name[3-[2-(4-cyclohexylpiperidin-1-yl)ethyl]-5-methoxy-2-methylindol-1-yl]-(4-fluorophenyl)methanone
SMILESCOc1ccc2c(c1)c(CCN1CCC(C3CCCCC3)CC1)c(C)n2C(=O)c1ccc(F)cc1
InChIInChI=1S/C30H37FN2O2/c1-21-27(16-19-32-17-14-23(15-18-32)22-6-4-3-5-7-22)28-20-26(35-2)12-13-29(28)33(21)30(34)24-8-10-25(31)11-9-24/h8-13,20,22-23H,3-7,14-19H2,1-2H3
InChIKeyOLHFUSZDIDTDGV-UHFFFAOYSA-N
XLogP6.62
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.64
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [3-[2-(4-cyclohexylpiperidin-1-yl)ethyl]-5-methoxy-2-methylindol-1-yl]-(4-fluorophenyl)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 [3-[2-(4-cyclohexylpiperidin-1-yl)ethyl]-5-methoxy-2-methylindol-1-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [3-[2-(4-cyclohexylpiperidin-1-yl)ethyl]-5-methoxy-2-methylindol-1-yl]-(4-fluorophenyl)methanone (CID 21313326) is [3-[2-(4-cyclohexylpiperidin-1-yl)ethyl]-5-methoxy-2-methylindol-1-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [3-[2-(4-cyclohexylpiperidin-1-yl)ethyl]-5-methoxy-2-methylindol-1-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [3-[2-(4-cyclohexylpiperidin-1-yl)ethyl]-5-methoxy-2-methylindol-1-yl]-(4-fluorophenyl)methanone is COc1ccc2c(c1)c(CCN1CCC(C3CCCCC3)CC1)c(C)n2C(=O)c1ccc(F)cc1.
What is the InChIKey of [3-[2-(4-cyclohexylpiperidin-1-yl)ethyl]-5-methoxy-2-methylindol-1-yl]-(4-fluorophenyl)methanone?
The InChIKey is OLHFUSZDIDTDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37FN2O2/c1-21-27(16-19-32-17-14-23(15-18-32)22-6-4-3-5-7-22)28-20-26(35-2)12-13-29(28)33(21)30(34)24-8-10-25(31)11-9-24/h8-13,20,22-23H,3-7,14-19H2,1-2H3.
What are the key properties of [3-[2-(4-cyclohexylpiperidin-1-yl)ethyl]-5-methoxy-2-methylindol-1-yl]-(4-fluorophenyl)methanone?
[3-[2-(4-cyclohexylpiperidin-1-yl)ethyl]-5-methoxy-2-methylindol-1-yl]-(4-fluorophenyl)methanone has a molecular weight of 476.64 g/mol, XLogP of 6.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(4-cyclohexylpiperidin-1-yl)ethyl]-5-methoxy-2-methylindol-1-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 21313326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).