(4-hydroxy-4-methylazepan-1-yl)-(1-methylindol-3-yl)methanone

C17H22N2O2 — CID 107406447

IUPAC(4-hydroxy-4-methylazepan-1-yl)-(1-methylindol-3-yl)methanone
SMILESCn1cc(C(=O)N2CCCC(C)(O)CC2)c2ccccc21
InChIInChI=1S/C17H22N2O2/c1-17(21)8-5-10-19(11-9-17)16(20)14-12-18(2)15-7-4-3-6-13(14)15/h3-4,6-7,12,21H,5,8-11H2,1-2H3
InChIKeyUCFUBBKXQOSQJD-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.56
Rot. Bonds1

About (4-hydroxy-4-methylazepan-1-yl)-(1-methylindol-3-yl)methanone

(4-hydroxy-4-methylazepan-1-yl)-(1-methylindol-3-yl)methanone (PubChem CID 107406447) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is (4-hydroxy-4-methylazepan-1-yl)-(1-methylindol-3-yl)methanone.

Molecular Properties

Compound Name(4-hydroxy-4-methylazepan-1-yl)-(1-methylindol-3-yl)methanone
PubChem CID107406447
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name(4-hydroxy-4-methylazepan-1-yl)-(1-methylindol-3-yl)methanone
SMILESCn1cc(C(=O)N2CCCC(C)(O)CC2)c2ccccc21
InChIInChI=1S/C17H22N2O2/c1-17(21)8-5-10-19(11-9-17)16(20)14-12-18(2)15-7-4-3-6-13(14)15/h3-4,6-7,12,21H,5,8-11H2,1-2H3
InChIKeyUCFUBBKXQOSQJD-UHFFFAOYSA-N
XLogP2.56
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

azetidin-1-yl-(1-methylindol-3-yl)methanone
CID 17458441
(1-methylindol-3-yl)-pyrrolidin-1-ylmethanone
CID 4207786
1-[4-(1-methylindole-3-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110805536
[4-(1-methylindole-3-carbonyl)-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 110808586
(2-chlorophenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107406239
(4-hydroxy-4-methylazepan-1-yl)-(2-methoxyphenyl)methanone
CID 107406615
[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(1-methylindol-3-yl)methanone
CID 164696777
4-(1-methylindole-3-carbonyl)piperazine-1-carbaldehyde
CID 110762463
[3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(1-methylindol-3-yl)methanone
CID 131650279
(3,4-dihydroxypyrrolidin-1-yl)-(1-methylindol-3-yl)methanone
CID 106671237
2-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 51279098
[3-hydroxy-3-(trifluoromethyl)azetidin-1-yl]-(1-methylindol-3-yl)methanone
CID 171512086

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-4-methylazepan-1-yl)-(1-methylindol-3-yl)methanone?
The IUPAC name of (4-hydroxy-4-methylazepan-1-yl)-(1-methylindol-3-yl)methanone (CID 107406447) is (4-hydroxy-4-methylazepan-1-yl)-(1-methylindol-3-yl)methanone.
What is the SMILES notation for (4-hydroxy-4-methylazepan-1-yl)-(1-methylindol-3-yl)methanone?
The canonical SMILES for (4-hydroxy-4-methylazepan-1-yl)-(1-methylindol-3-yl)methanone is Cn1cc(C(=O)N2CCCC(C)(O)CC2)c2ccccc21.
What is the InChIKey of (4-hydroxy-4-methylazepan-1-yl)-(1-methylindol-3-yl)methanone?
The InChIKey is UCFUBBKXQOSQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-17(21)8-5-10-19(11-9-17)16(20)14-12-18(2)15-7-4-3-6-13(14)15/h3-4,6-7,12,21H,5,8-11H2,1-2H3.
What are the key properties of (4-hydroxy-4-methylazepan-1-yl)-(1-methylindol-3-yl)methanone?
(4-hydroxy-4-methylazepan-1-yl)-(1-methylindol-3-yl)methanone has a molecular weight of 286.38 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-4-methylazepan-1-yl)-(1-methylindol-3-yl)methanone is sourced from PubChem (CID 107406447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).