3-(1-cyclohex-2-en-1-ylpiperidin-4-yl)-5-methoxy-1H-indole

C20H26N2O — CID 56574521

IUPAC3-(1-cyclohex-2-en-1-ylpiperidin-4-yl)-5-methoxy-1H-indole
SMILESCOc1ccc2[nH]cc(C3CCN(C4C=CCCC4)CC3)c2c1
InChIInChI=1S/C20H26N2O/c1-23-17-7-8-20-18(13-17)19(14-21-20)15-9-11-22(12-10-15)16-5-3-2-4-6-16/h3,5,7-8,13-16,21H,2,4,6,9-12H2,1H3
InChIKeyCFHXINOWECLNFH-UHFFFAOYSA-N
MW310.44 g/mol
LogP4.46
Rot. Bonds3

About 3-(1-cyclohex-2-en-1-ylpiperidin-4-yl)-5-methoxy-1H-indole

3-(1-cyclohex-2-en-1-ylpiperidin-4-yl)-5-methoxy-1H-indole (PubChem CID 56574521) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 3-(1-cyclohex-2-en-1-ylpiperidin-4-yl)-5-methoxy-1H-indole.

Molecular Properties

Compound Name3-(1-cyclohex-2-en-1-ylpiperidin-4-yl)-5-methoxy-1H-indole
PubChem CID56574521
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name3-(1-cyclohex-2-en-1-ylpiperidin-4-yl)-5-methoxy-1H-indole
SMILESCOc1ccc2[nH]cc(C3CCN(C4C=CCCC4)CC3)c2c1
InChIInChI=1S/C20H26N2O/c1-23-17-7-8-20-18(13-17)19(14-21-20)15-9-11-22(12-10-15)16-5-3-2-4-6-16/h3,5,7-8,13-16,21H,2,4,6,9-12H2,1H3
InChIKeyCFHXINOWECLNFH-UHFFFAOYSA-N
XLogP4.46
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(1-cyclohex-2-en-1-ylpiperidin-4-yl)-1H-indole
CID 56574161
5-methoxy-3-(1-propan-2-ylpiperidin-4-yl)-1H-indole
CID 47538804
(4-hydroxycyclohexyl)-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone
CID 126767282
cyclohexyl-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone
CID 113087522
4-(5-methoxy-1H-indol-3-yl)cyclohexane-1-carboxylic acid
CID 83788644
5-ethyl-2-[[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methyl]-1,3-oxazole
CID 71925957
tert-butyl 4-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxylate
CID 45480277
1-(azepan-1-yl)-2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 47538961
5-methoxy-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole
CID 113087575
[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 113087534
5-[4-(5-methoxy-1H-indol-3-yl)piperidine-1-carbonyl]thiophene-2-carboxylic acid
CID 167745823
5-methoxy-3-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]-1H-indole
CID 122140104

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclohex-2-en-1-ylpiperidin-4-yl)-5-methoxy-1H-indole?
The IUPAC name of 3-(1-cyclohex-2-en-1-ylpiperidin-4-yl)-5-methoxy-1H-indole (CID 56574521) is 3-(1-cyclohex-2-en-1-ylpiperidin-4-yl)-5-methoxy-1H-indole.
What is the SMILES notation for 3-(1-cyclohex-2-en-1-ylpiperidin-4-yl)-5-methoxy-1H-indole?
The canonical SMILES for 3-(1-cyclohex-2-en-1-ylpiperidin-4-yl)-5-methoxy-1H-indole is COc1ccc2[nH]cc(C3CCN(C4C=CCCC4)CC3)c2c1.
What is the InChIKey of 3-(1-cyclohex-2-en-1-ylpiperidin-4-yl)-5-methoxy-1H-indole?
The InChIKey is CFHXINOWECLNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-23-17-7-8-20-18(13-17)19(14-21-20)15-9-11-22(12-10-15)16-5-3-2-4-6-16/h3,5,7-8,13-16,21H,2,4,6,9-12H2,1H3.
What are the key properties of 3-(1-cyclohex-2-en-1-ylpiperidin-4-yl)-5-methoxy-1H-indole?
3-(1-cyclohex-2-en-1-ylpiperidin-4-yl)-5-methoxy-1H-indole has a molecular weight of 310.44 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclohex-2-en-1-ylpiperidin-4-yl)-5-methoxy-1H-indole is sourced from PubChem (CID 56574521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).