[2-(hydroxymethyl)azepan-1-yl]-(1H-indol-6-yl)methanone

C16H20N2O2 — CID 116635828

IUPAC[2-(hydroxymethyl)azepan-1-yl]-(1H-indol-6-yl)methanone
SMILESO=C(c1ccc2cc[nH]c2c1)N1CCCCCC1CO
InChIInChI=1S/C16H20N2O2/c19-11-14-4-2-1-3-9-18(14)16(20)13-6-5-12-7-8-17-15(12)10-13/h5-8,10,14,17,19H,1-4,9,11H2
InChIKeyAFBNBWYVBBDTIA-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.55
Rot. Bonds2

About [2-(hydroxymethyl)azepan-1-yl]-(1H-indol-6-yl)methanone

[2-(hydroxymethyl)azepan-1-yl]-(1H-indol-6-yl)methanone (PubChem CID 116635828) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is [2-(hydroxymethyl)azepan-1-yl]-(1H-indol-6-yl)methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)azepan-1-yl]-(1H-indol-6-yl)methanone
PubChem CID116635828
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name[2-(hydroxymethyl)azepan-1-yl]-(1H-indol-6-yl)methanone
SMILESO=C(c1ccc2cc[nH]c2c1)N1CCCCCC1CO
InChIInChI=1S/C16H20N2O2/c19-11-14-4-2-1-3-9-18(14)16(20)13-6-5-12-7-8-17-15(12)10-13/h5-8,10,14,17,19H,1-4,9,11H2
InChIKeyAFBNBWYVBBDTIA-UHFFFAOYSA-N
XLogP2.55
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indol-6-yl)methanone
CID 95302509
1-[1-(1H-indole-6-carbonyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide
CID 71862043
[3-(hydroxymethyl)morpholin-4-yl]-(1H-indol-6-yl)methanone
CID 112531994
[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-(1H-indol-6-yl)methanone
CID 95602971
(2-cyclopentylpyrrolidin-1-yl)-(1H-indol-6-yl)methanone
CID 61073765
3-[2-(hydroxymethyl)azepane-1-carbonyl]benzoic acid
CID 116635788
[2-(hydroxymethyl)azepan-1-yl]-(1H-indol-4-yl)methanone
CID 116635844
1H-indol-6-yl-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95343101
(3,4-dihydroxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 103956460
1H-indol-6-yl-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone
CID 96572403
(4-fluorophenyl)-[(2S)-2-(hydroxymethyl)piperidin-1-yl]methanone
CID 40620751
(2R,3R)-1-(1H-indole-6-carbonyl)-2-methylpiperidine-3-carboxylic acid
CID 122116493

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)azepan-1-yl]-(1H-indol-6-yl)methanone?
The IUPAC name of [2-(hydroxymethyl)azepan-1-yl]-(1H-indol-6-yl)methanone (CID 116635828) is [2-(hydroxymethyl)azepan-1-yl]-(1H-indol-6-yl)methanone.
What is the SMILES notation for [2-(hydroxymethyl)azepan-1-yl]-(1H-indol-6-yl)methanone?
The canonical SMILES for [2-(hydroxymethyl)azepan-1-yl]-(1H-indol-6-yl)methanone is O=C(c1ccc2cc[nH]c2c1)N1CCCCCC1CO.
What is the InChIKey of [2-(hydroxymethyl)azepan-1-yl]-(1H-indol-6-yl)methanone?
The InChIKey is AFBNBWYVBBDTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c19-11-14-4-2-1-3-9-18(14)16(20)13-6-5-12-7-8-17-15(12)10-13/h5-8,10,14,17,19H,1-4,9,11H2.
What are the key properties of [2-(hydroxymethyl)azepan-1-yl]-(1H-indol-6-yl)methanone?
[2-(hydroxymethyl)azepan-1-yl]-(1H-indol-6-yl)methanone has a molecular weight of 272.35 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)azepan-1-yl]-(1H-indol-6-yl)methanone is sourced from PubChem (CID 116635828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).