cyclohexyl-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone

C21H28N2O2 — CID 113087522

IUPACcyclohexyl-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone
SMILESCOc1ccc2[nH]cc(C3CCN(C(=O)C4CCCCC4)CC3)c2c1
InChIInChI=1S/C21H28N2O2/c1-25-17-7-8-20-18(13-17)19(14-22-20)15-9-11-23(12-10-15)21(24)16-5-3-2-4-6-16/h7-8,13-16,22H,2-6,9-12H2,1H3
InChIKeyIZRCXMOTACEWBA-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.46
Rot. Bonds3

About cyclohexyl-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone

cyclohexyl-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone (PubChem CID 113087522) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is cyclohexyl-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone
PubChem CID113087522
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Namecyclohexyl-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone
SMILESCOc1ccc2[nH]cc(C3CCN(C(=O)C4CCCCC4)CC3)c2c1
InChIInChI=1S/C21H28N2O2/c1-25-17-7-8-20-18(13-17)19(14-22-20)15-9-11-23(12-10-15)21(24)16-5-3-2-4-6-16/h7-8,13-16,22H,2-6,9-12H2,1H3
InChIKeyIZRCXMOTACEWBA-UHFFFAOYSA-N
XLogP4.46
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-hydroxycyclohexyl)-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone
CID 126767282
1-(azepan-1-yl)-2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 47538961
tert-butyl 4-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxylate
CID 45480277
cyclobutyl-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]methanone
CID 113087422
[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
4-(5-methoxy-1H-indol-3-yl)cyclohexane-1-carboxylic acid
CID 83788644
2-(4-fluorophenyl)-1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 113087543
1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-2-pyrimidin-5-ylethanone
CID 100729080
(3S)-N-cyclopentyl-3-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxamide
CID 126522636
1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-2-(oxan-4-yl)propan-1-one
CID 126769292
5-methoxy-3-(1-propan-2-ylpiperidin-4-yl)-1H-indole
CID 47538804

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone (CID 113087522) is cyclohexyl-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone is COc1ccc2[nH]cc(C3CCN(C(=O)C4CCCCC4)CC3)c2c1.
What is the InChIKey of cyclohexyl-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone?
The InChIKey is IZRCXMOTACEWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-25-17-7-8-20-18(13-17)19(14-22-20)15-9-11-23(12-10-15)21(24)16-5-3-2-4-6-16/h7-8,13-16,22H,2-6,9-12H2,1H3.
What are the key properties of cyclohexyl-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone?
cyclohexyl-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone has a molecular weight of 340.47 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 cyclohexyl-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 113087522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).