(7-aminoindol-1-yl)-(4-methoxycyclohexyl)methanone

C16H20N2O2 — CID 112526657

IUPAC(7-aminoindol-1-yl)-(4-methoxycyclohexyl)methanone
SMILESCOC1CCC(C(=O)n2ccc3cccc(N)c32)CC1
InChIInChI=1S/C16H20N2O2/c1-20-13-7-5-12(6-8-13)16(19)18-10-9-11-3-2-4-14(17)15(11)18/h2-4,9-10,12-13H,5-8,17H2,1H3
InChIKeyVUFVIZVMUPOMSX-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.07
Rot. Bonds2

About (7-aminoindol-1-yl)-(4-methoxycyclohexyl)methanone

(7-aminoindol-1-yl)-(4-methoxycyclohexyl)methanone (PubChem CID 112526657) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is (7-aminoindol-1-yl)-(4-methoxycyclohexyl)methanone.

Molecular Properties

Compound Name(7-aminoindol-1-yl)-(4-methoxycyclohexyl)methanone
PubChem CID112526657
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name(7-aminoindol-1-yl)-(4-methoxycyclohexyl)methanone
SMILESCOC1CCC(C(=O)n2ccc3cccc(N)c32)CC1
InChIInChI=1S/C16H20N2O2/c1-20-13-7-5-12(6-8-13)16(19)18-10-9-11-3-2-4-14(17)15(11)18/h2-4,9-10,12-13H,5-8,17H2,1H3
InChIKeyVUFVIZVMUPOMSX-UHFFFAOYSA-N
XLogP3.07
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-aminoindol-1-yl)-(4-hydroxycyclohexyl)methanone
CID 112526357
1-ethoxyindol-7-amine
CID 69254677
(7-aminoindol-1-yl)-(5-chlorothiophen-2-yl)methanone
CID 112526561
methyl 2-(7-aminoindol-1-yl)acetate
CID 114935904
N-[2-[2-(7-aminoindol-1-yl)-2-oxoethyl]triazol-4-yl]acetamide
CID 112526659
(2-amino-6-methylphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 43372607
(4-hydroxypiperidin-1-yl)-(4-methoxycyclohexyl)methanone
CID 112531209
1-(7-aminoindol-1-yl)-2-(5-methyl-1H-pyrrol-3-yl)ethanone
CID 112526583
(4-methoxycyclohexyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 112532262
azepan-1-yl-(4-methoxycyclohexyl)methanone
CID 112530492
methyl N-[1-[2-(7-aminoindol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate
CID 112526671
1-(cyclopentylmethyl)indol-7-amine
CID 114935809

Frequently Asked Questions

What is the IUPAC name of (7-aminoindol-1-yl)-(4-methoxycyclohexyl)methanone?
The IUPAC name of (7-aminoindol-1-yl)-(4-methoxycyclohexyl)methanone (CID 112526657) is (7-aminoindol-1-yl)-(4-methoxycyclohexyl)methanone.
What is the SMILES notation for (7-aminoindol-1-yl)-(4-methoxycyclohexyl)methanone?
The canonical SMILES for (7-aminoindol-1-yl)-(4-methoxycyclohexyl)methanone is COC1CCC(C(=O)n2ccc3cccc(N)c32)CC1.
What is the InChIKey of (7-aminoindol-1-yl)-(4-methoxycyclohexyl)methanone?
The InChIKey is VUFVIZVMUPOMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-20-13-7-5-12(6-8-13)16(19)18-10-9-11-3-2-4-14(17)15(11)18/h2-4,9-10,12-13H,5-8,17H2,1H3.
What are the key properties of (7-aminoindol-1-yl)-(4-methoxycyclohexyl)methanone?
(7-aminoindol-1-yl)-(4-methoxycyclohexyl)methanone has a molecular weight of 272.35 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-aminoindol-1-yl)-(4-methoxycyclohexyl)methanone is sourced from PubChem (CID 112526657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).