[2-(1H-indol-2-yl)piperidin-1-yl]-(oxan-4-yl)methanone

C19H24N2O2 — CID 113089008

IUPAC[2-(1H-indol-2-yl)piperidin-1-yl]-(oxan-4-yl)methanone
SMILESO=C(C1CCOCC1)N1CCCCC1c1cc2ccccc2[nH]1
InChIInChI=1S/C19H24N2O2/c22-19(14-8-11-23-12-9-14)21-10-4-3-7-18(21)17-13-15-5-1-2-6-16(15)20-17/h1-2,5-6,13-14,18,20H,3-4,7-12H2
InChIKeyAZHYHYDAKBGJEN-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.65
Rot. Bonds2

About [2-(1H-indol-2-yl)piperidin-1-yl]-(oxan-4-yl)methanone

[2-(1H-indol-2-yl)piperidin-1-yl]-(oxan-4-yl)methanone (PubChem CID 113089008) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is [2-(1H-indol-2-yl)piperidin-1-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[2-(1H-indol-2-yl)piperidin-1-yl]-(oxan-4-yl)methanone
PubChem CID113089008
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name[2-(1H-indol-2-yl)piperidin-1-yl]-(oxan-4-yl)methanone
SMILESO=C(C1CCOCC1)N1CCCCC1c1cc2ccccc2[nH]1
InChIInChI=1S/C19H24N2O2/c22-19(14-8-11-23-12-9-14)21-10-4-3-7-18(21)17-13-15-5-1-2-6-16(15)20-17/h1-2,5-6,13-14,18,20H,3-4,7-12H2
InChIKeyAZHYHYDAKBGJEN-UHFFFAOYSA-N
XLogP3.65
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(1H-indol-2-yl)piperidin-1-yl]-pyrrolidin-3-ylmethanone
CID 119776657
(3-aminocyclopentyl)-[2-(1H-indol-2-yl)piperidin-1-yl]methanone;hydrochloride
CID 119776626
2-[(2S)-2-(1H-indol-2-yl)piperidin-1-yl]-N-(oxan-4-yl)acetamide
CID 95324295
1-[2-(1H-indol-2-yl)piperidin-1-yl]-2-(2-methylphenyl)ethanone
CID 113089000
N-(4-hydroxycyclohexyl)-2-(1H-indol-2-yl)piperidine-1-carboxamide
CID 111109545
(5-bromo-3-pyridinyl)-[2-(1H-indol-2-yl)piperidin-1-yl]methanone
CID 71878068
1-[(2R)-2-(1H-indol-2-yl)piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone
CID 95616938
1-(1,1-dioxothiolan-3-yl)-4-[2-(1H-indol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 146086918
2-[2-(1H-indol-2-yl)piperidine-1-carbonyl]pyridine-4-carboxylic acid
CID 122055616
3-[(2R)-2-(1H-indol-2-yl)piperidin-1-yl]propanoic acid
CID 124704455
N-[(1-ethylpyrazol-4-yl)methyl]-2-(1H-indol-2-yl)piperidine-1-carboxamide
CID 154757998
2-(4-chlorophenoxy)-1-[2-(1H-indol-2-yl)piperidin-1-yl]ethanone
CID 113088985

Frequently Asked Questions

What is the IUPAC name of [2-(1H-indol-2-yl)piperidin-1-yl]-(oxan-4-yl)methanone?
The IUPAC name of [2-(1H-indol-2-yl)piperidin-1-yl]-(oxan-4-yl)methanone (CID 113089008) is [2-(1H-indol-2-yl)piperidin-1-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [2-(1H-indol-2-yl)piperidin-1-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [2-(1H-indol-2-yl)piperidin-1-yl]-(oxan-4-yl)methanone is O=C(C1CCOCC1)N1CCCCC1c1cc2ccccc2[nH]1.
What is the InChIKey of [2-(1H-indol-2-yl)piperidin-1-yl]-(oxan-4-yl)methanone?
The InChIKey is AZHYHYDAKBGJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c22-19(14-8-11-23-12-9-14)21-10-4-3-7-18(21)17-13-15-5-1-2-6-16(15)20-17/h1-2,5-6,13-14,18,20H,3-4,7-12H2.
What are the key properties of [2-(1H-indol-2-yl)piperidin-1-yl]-(oxan-4-yl)methanone?
[2-(1H-indol-2-yl)piperidin-1-yl]-(oxan-4-yl)methanone has a molecular weight of 312.41 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-indol-2-yl)piperidin-1-yl]-(oxan-4-yl)methanone is sourced from PubChem (CID 113089008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).