(5S)-9-(3-indol-1-ylpropyl)-2-oxa-9-azaspiro[4.5]decan-8-one

C19H24N2O2 — CID 97156715

IUPAC(5S)-9-(3-indol-1-ylpropyl)-2-oxa-9-azaspiro[4.5]decan-8-one
SMILESO=C1CC[C@]2(CCOC2)CN1CCCn1ccc2ccccc21
InChIInChI=1S/C19H24N2O2/c22-18-6-8-19(9-13-23-15-19)14-21(18)11-3-10-20-12-7-16-4-1-2-5-17(16)20/h1-2,4-5,7,12H,3,6,8-11,13-15H2/t19-/m0/s1
InChIKeyJEXWBQWBQYEJKU-IBGZPJMESA-N
MW312.41 g/mol
LogP3.06
Rot. Bonds4

About (5S)-9-(3-indol-1-ylpropyl)-2-oxa-9-azaspiro[4.5]decan-8-one

(5S)-9-(3-indol-1-ylpropyl)-2-oxa-9-azaspiro[4.5]decan-8-one (PubChem CID 97156715) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is (5S)-9-(3-indol-1-ylpropyl)-2-oxa-9-azaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name(5S)-9-(3-indol-1-ylpropyl)-2-oxa-9-azaspiro[4.5]decan-8-one
PubChem CID97156715
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name(5S)-9-(3-indol-1-ylpropyl)-2-oxa-9-azaspiro[4.5]decan-8-one
SMILESO=C1CC[C@]2(CCOC2)CN1CCCn1ccc2ccccc21
InChIInChI=1S/C19H24N2O2/c22-18-6-8-19(9-13-23-15-19)14-21(18)11-3-10-20-12-7-16-4-1-2-5-17(16)20/h1-2,4-5,7,12H,3,6,8-11,13-15H2/t19-/m0/s1
InChIKeyJEXWBQWBQYEJKU-IBGZPJMESA-N
XLogP3.06
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-9-[2-(4-benzylpiperazin-1-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one
CID 97127415
(5R)-9-(3-pyridin-3-yloxypropyl)-2-oxa-9-azaspiro[4.5]decan-8-one
CID 97131962
(5S)-9-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one
CID 97139210
9-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-oxa-9-azaspiro[4.5]decan-8-one
CID 72903273
9-[2-(2-methylquinolin-8-yl)oxyethyl]-2-oxa-9-azaspiro[4.5]decan-8-one
CID 72916661
9-[(3-methyl-1-benzofuran-2-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one
CID 72897769
N-[2-(8-oxo-2-oxa-9-azaspiro[4.5]decan-9-yl)ethyl]pyridine-3-carboxamide
CID 72850449
(5R)-9-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one
CID 97136277
(5R)-9-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one
CID 97154280
N-(3-indol-1-ylpropyl)-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide
CID 56701349
3-indol-1-ylpropan-1-amine
CID 2512786
3-indol-1-ylpropane-1-thiol
CID 139540347

Frequently Asked Questions

What is the IUPAC name of (5S)-9-(3-indol-1-ylpropyl)-2-oxa-9-azaspiro[4.5]decan-8-one?
The IUPAC name of (5S)-9-(3-indol-1-ylpropyl)-2-oxa-9-azaspiro[4.5]decan-8-one (CID 97156715) is (5S)-9-(3-indol-1-ylpropyl)-2-oxa-9-azaspiro[4.5]decan-8-one.
What is the SMILES notation for (5S)-9-(3-indol-1-ylpropyl)-2-oxa-9-azaspiro[4.5]decan-8-one?
The canonical SMILES for (5S)-9-(3-indol-1-ylpropyl)-2-oxa-9-azaspiro[4.5]decan-8-one is O=C1CC[C@]2(CCOC2)CN1CCCn1ccc2ccccc21.
What is the InChIKey of (5S)-9-(3-indol-1-ylpropyl)-2-oxa-9-azaspiro[4.5]decan-8-one?
The InChIKey is JEXWBQWBQYEJKU-IBGZPJMESA-N. The full InChI is InChI=1S/C19H24N2O2/c22-18-6-8-19(9-13-23-15-19)14-21(18)11-3-10-20-12-7-16-4-1-2-5-17(16)20/h1-2,4-5,7,12H,3,6,8-11,13-15H2/t19-/m0/s1.
What are the key properties of (5S)-9-(3-indol-1-ylpropyl)-2-oxa-9-azaspiro[4.5]decan-8-one?
(5S)-9-(3-indol-1-ylpropyl)-2-oxa-9-azaspiro[4.5]decan-8-one has a molecular weight of 312.41 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-9-(3-indol-1-ylpropyl)-2-oxa-9-azaspiro[4.5]decan-8-one is sourced from PubChem (CID 97156715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).