3-[cyclohexyl(pyrrolidin-1-yl)methyl]-5-methoxy-1H-indole

C20H28N2O — CID 110453549

IUPAC3-[cyclohexyl(pyrrolidin-1-yl)methyl]-5-methoxy-1H-indole
SMILESCOc1ccc2[nH]cc(C(C3CCCCC3)N3CCCC3)c2c1
InChIInChI=1S/C20H28N2O/c1-23-16-9-10-19-17(13-16)18(14-21-19)20(22-11-5-6-12-22)15-7-3-2-4-8-15/h9-10,13-15,20-21H,2-8,11-12H2,1H3
InChIKeyFIESKSWRDUWCRL-UHFFFAOYSA-N
MW312.46 g/mol
LogP4.89
Rot. Bonds4

About 3-[cyclohexyl(pyrrolidin-1-yl)methyl]-5-methoxy-1H-indole

3-[cyclohexyl(pyrrolidin-1-yl)methyl]-5-methoxy-1H-indole (PubChem CID 110453549) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is 3-[cyclohexyl(pyrrolidin-1-yl)methyl]-5-methoxy-1H-indole.

Molecular Properties

Compound Name3-[cyclohexyl(pyrrolidin-1-yl)methyl]-5-methoxy-1H-indole
PubChem CID110453549
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC Name3-[cyclohexyl(pyrrolidin-1-yl)methyl]-5-methoxy-1H-indole
SMILESCOc1ccc2[nH]cc(C(C3CCCCC3)N3CCCC3)c2c1
InChIInChI=1S/C20H28N2O/c1-23-16-9-10-19-17(13-16)18(14-21-19)20(22-11-5-6-12-22)15-7-3-2-4-8-15/h9-10,13-15,20-21H,2-8,11-12H2,1H3
InChIKeyFIESKSWRDUWCRL-UHFFFAOYSA-N
XLogP4.89
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[cyclohexyl(pyrrolidin-1-yl)methyl]-1H-indole
CID 110453205
(S)-cyclopentyl-(5-methoxy-1H-indol-3-yl)methanamine;hydrochloride
CID 171219271
dimethyl 2-[cyclohexyl-(5-methoxy-1H-indol-3-yl)methyl]propanedioate
CID 102292347
1-[(S)-cyclohexyl-(2,4-dimethoxyphenyl)methyl]piperazine
CID 171274762
1-[(S)-cyclohexyl-(2,5-dimethoxyphenyl)methyl]piperazine;dihydrochloride
CID 171274120
2-[(S)-cyclohexyl(piperazin-1-yl)methyl]-5-methoxyphenol
CID 171274434
N-cyclohexyl-2-(5-methoxy-1H-indol-3-yl)-2-(2-oxoazetidin-1-yl)acetamide
CID 4529456
5-methoxy-3-[(1R)-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride
CID 171286352
1-[(R)-cyclohexyl-(2-fluoro-5-methoxyphenyl)methyl]piperazine;dihydrochloride
CID 171292805
5-bromo-3-[(R)-cyclobutyl(piperazin-1-yl)methyl]-1H-indole;dihydrochloride
CID 171290946
2-[(S)-cyclohexyl(piperazin-1-yl)methyl]-4-methoxyphenol;dihydrochloride
CID 171275901
2-[cyclohexyl(methyl)amino]-2-(5-methoxy-1H-indol-3-yl)acetonitrile
CID 84757207

Frequently Asked Questions

What is the IUPAC name of 3-[cyclohexyl(pyrrolidin-1-yl)methyl]-5-methoxy-1H-indole?
The IUPAC name of 3-[cyclohexyl(pyrrolidin-1-yl)methyl]-5-methoxy-1H-indole (CID 110453549) is 3-[cyclohexyl(pyrrolidin-1-yl)methyl]-5-methoxy-1H-indole.
What is the SMILES notation for 3-[cyclohexyl(pyrrolidin-1-yl)methyl]-5-methoxy-1H-indole?
The canonical SMILES for 3-[cyclohexyl(pyrrolidin-1-yl)methyl]-5-methoxy-1H-indole is COc1ccc2[nH]cc(C(C3CCCCC3)N3CCCC3)c2c1.
What is the InChIKey of 3-[cyclohexyl(pyrrolidin-1-yl)methyl]-5-methoxy-1H-indole?
The InChIKey is FIESKSWRDUWCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O/c1-23-16-9-10-19-17(13-16)18(14-21-19)20(22-11-5-6-12-22)15-7-3-2-4-8-15/h9-10,13-15,20-21H,2-8,11-12H2,1H3.
What are the key properties of 3-[cyclohexyl(pyrrolidin-1-yl)methyl]-5-methoxy-1H-indole?
3-[cyclohexyl(pyrrolidin-1-yl)methyl]-5-methoxy-1H-indole has a molecular weight of 312.46 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexyl(pyrrolidin-1-yl)methyl]-5-methoxy-1H-indole is sourced from PubChem (CID 110453549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).