[3-[2-[2-(3-cyclohexylpropyl)piperidin-1-yl]ethyl]-5-methoxy-2-methylindol-1-yl]-phenylmethanone

C33H44N2O2 — CID 21313321

IUPAC[3-[2-[2-(3-cyclohexylpropyl)piperidin-1-yl]ethyl]-5-methoxy-2-methylindol-1-yl]-phenylmethanone
SMILESCOc1ccc2c(c1)c(CCN1CCCCC1CCCC1CCCCC1)c(C)n2C(=O)c1ccccc1
InChIInChI=1S/C33H44N2O2/c1-25-30(21-23-34-22-10-9-17-28(34)18-11-14-26-12-5-3-6-13-26)31-24-29(37-2)19-20-32(31)35(25)33(36)27-15-7-4-8-16-27/h4,7-8,15-16,19-20,24,26,28H,3,5-6,9-14,17-18,21-23H2,1-2H3
InChIKeySQUKJRRMAJMTKW-UHFFFAOYSA-N
MW500.73 g/mol
LogP7.79
Rot. Bonds9

About [3-[2-[2-(3-cyclohexylpropyl)piperidin-1-yl]ethyl]-5-methoxy-2-methylindol-1-yl]-phenylmethanone

[3-[2-[2-(3-cyclohexylpropyl)piperidin-1-yl]ethyl]-5-methoxy-2-methylindol-1-yl]-phenylmethanone (PubChem CID 21313321) has the molecular formula C33H44N2O2 and a molecular weight of 500.73 g/mol. Its IUPAC name is [3-[2-[2-(3-cyclohexylpropyl)piperidin-1-yl]ethyl]-5-methoxy-2-methylindol-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-[2-[2-(3-cyclohexylpropyl)piperidin-1-yl]ethyl]-5-methoxy-2-methylindol-1-yl]-phenylmethanone
PubChem CID21313321
Molecular FormulaC33H44N2O2
Molecular Weight500.73 g/mol
Exact Mass500.34
IUPAC Name[3-[2-[2-(3-cyclohexylpropyl)piperidin-1-yl]ethyl]-5-methoxy-2-methylindol-1-yl]-phenylmethanone
SMILESCOc1ccc2c(c1)c(CCN1CCCCC1CCCC1CCCCC1)c(C)n2C(=O)c1ccccc1
InChIInChI=1S/C33H44N2O2/c1-25-30(21-23-34-22-10-9-17-28(34)18-11-14-26-12-5-3-6-13-26)31-24-29(37-2)19-20-32(31)35(25)33(36)27-15-7-4-8-16-27/h4,7-8,15-16,19-20,24,26,28H,3,5-6,9-14,17-18,21-23H2,1-2H3
InChIKeySQUKJRRMAJMTKW-UHFFFAOYSA-N
XLogP7.79
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.73
LogP ≤ 57.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [3-[2-[2-(3-cyclohexylpropyl)piperidin-1-yl]ethyl]-5-methoxy-2-methylindol-1-yl]-phenylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-[2-[2-(cyclohexylmethyl)piperidin-1-yl]ethyl]-5-methoxy-2-methylindol-1-yl]-3-phenylprop-2-en-1-one
CID 54554197
[3-[2-[4-(2-cyclohexylethyl)piperidin-1-yl]ethyl]-5-methoxy-2-methylindol-1-yl]-(4-fluorophenyl)methanone;hydrochloride
CID 21313371
[3-[2-(4-cyclohexylpiperidin-1-yl)ethyl]-5-methoxy-2-methylindol-1-yl]-(4-fluorophenyl)methanone
CID 21313326
[3-[2-[di(propan-2-yl)amino]ethyl]-5-methoxy-2-methylindol-1-yl]-phenylmethanone
CID 21313355
4-[3-[1-(2-cyclohexylethyl)piperidin-2-yl]propyl]-6-methoxy-3-methylquinoline
CID 141053509
4-[1-(4-bromobenzoyl)-5-methoxy-2-methylindol-3-yl]butanoic acid
CID 11235754
[3-[2-[benzyl(tert-butyl)amino]ethyl]-5-methoxy-2-methylindol-1-yl]-(4-fluorophenyl)methanone
CID 21313304
copper bis(2-[2-(1-benzoyl-5-methoxy-2-methylindol-3-yl)acetyl]oxyacetate)
CID 11848850
bis(2-[2-(1-benzoyl-5-methoxy-2-methylindol-3-yl)acetyl]oxyacetate);ruthenium(2+)
CID 11848852
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-cyclopentylacetamide
CID 1265009
[5,7-difluoro-2-methyl-3-[2-(2-methylpiperidin-1-yl)ethyl]indol-1-yl]-phenylmethanone
CID 21313338
4-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]-2-(cyclohexylmethyl)-3-hydroxy-2H-furan-5-one
CID 69135301

Frequently Asked Questions

What is the IUPAC name of [3-[2-[2-(3-cyclohexylpropyl)piperidin-1-yl]ethyl]-5-methoxy-2-methylindol-1-yl]-phenylmethanone?
The IUPAC name of [3-[2-[2-(3-cyclohexylpropyl)piperidin-1-yl]ethyl]-5-methoxy-2-methylindol-1-yl]-phenylmethanone (CID 21313321) is [3-[2-[2-(3-cyclohexylpropyl)piperidin-1-yl]ethyl]-5-methoxy-2-methylindol-1-yl]-phenylmethanone.
What is the SMILES notation for [3-[2-[2-(3-cyclohexylpropyl)piperidin-1-yl]ethyl]-5-methoxy-2-methylindol-1-yl]-phenylmethanone?
The canonical SMILES for [3-[2-[2-(3-cyclohexylpropyl)piperidin-1-yl]ethyl]-5-methoxy-2-methylindol-1-yl]-phenylmethanone is COc1ccc2c(c1)c(CCN1CCCCC1CCCC1CCCCC1)c(C)n2C(=O)c1ccccc1.
What is the InChIKey of [3-[2-[2-(3-cyclohexylpropyl)piperidin-1-yl]ethyl]-5-methoxy-2-methylindol-1-yl]-phenylmethanone?
The InChIKey is SQUKJRRMAJMTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H44N2O2/c1-25-30(21-23-34-22-10-9-17-28(34)18-11-14-26-12-5-3-6-13-26)31-24-29(37-2)19-20-32(31)35(25)33(36)27-15-7-4-8-16-27/h4,7-8,15-16,19-20,24,26,28H,3,5-6,9-14,17-18,21-23H2,1-2H3.
What are the key properties of [3-[2-[2-(3-cyclohexylpropyl)piperidin-1-yl]ethyl]-5-methoxy-2-methylindol-1-yl]-phenylmethanone?
[3-[2-[2-(3-cyclohexylpropyl)piperidin-1-yl]ethyl]-5-methoxy-2-methylindol-1-yl]-phenylmethanone has a molecular weight of 500.73 g/mol, XLogP of 7.79, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-[2-(3-cyclohexylpropyl)piperidin-1-yl]ethyl]-5-methoxy-2-methylindol-1-yl]-phenylmethanone is sourced from PubChem (CID 21313321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).