(5R)-9-(3-pyridin-3-yloxypropyl)-2-oxa-9-azaspiro[4.5]decan-8-one

C16H22N2O3 — CID 97131962

IUPAC(5R)-9-(3-pyridin-3-yloxypropyl)-2-oxa-9-azaspiro[4.5]decan-8-one
SMILESO=C1CC[C@@]2(CCOC2)CN1CCCOc1cccnc1
InChIInChI=1S/C16H22N2O3/c19-15-4-5-16(6-10-20-13-16)12-18(15)8-2-9-21-14-3-1-7-17-11-14/h1,3,7,11H,2,4-6,8-10,12-13H2/t16-/m1/s1
InChIKeyQDCQISUOPPUPEY-MRXNPFEDSA-N
MW290.36 g/mol
LogP1.88
Rot. Bonds5

About (5R)-9-(3-pyridin-3-yloxypropyl)-2-oxa-9-azaspiro[4.5]decan-8-one

(5R)-9-(3-pyridin-3-yloxypropyl)-2-oxa-9-azaspiro[4.5]decan-8-one (PubChem CID 97131962) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is (5R)-9-(3-pyridin-3-yloxypropyl)-2-oxa-9-azaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name(5R)-9-(3-pyridin-3-yloxypropyl)-2-oxa-9-azaspiro[4.5]decan-8-one
PubChem CID97131962
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name(5R)-9-(3-pyridin-3-yloxypropyl)-2-oxa-9-azaspiro[4.5]decan-8-one
SMILESO=C1CC[C@@]2(CCOC2)CN1CCCOc1cccnc1
InChIInChI=1S/C16H22N2O3/c19-15-4-5-16(6-10-20-13-16)12-18(15)8-2-9-21-14-3-1-7-17-11-14/h1,3,7,11H,2,4-6,8-10,12-13H2/t16-/m1/s1
InChIKeyQDCQISUOPPUPEY-MRXNPFEDSA-N
XLogP1.88
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(8-oxo-2-oxa-9-azaspiro[4.5]decan-9-yl)ethyl]pyridine-3-carboxamide
CID 72850449
9-[3-(1H-imidazol-2-yl)propyl]-2-oxa-9-azaspiro[4.5]decan-8-one
CID 86284805
9-[2-(3-methoxyphenyl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one
CID 72939057
(5S)-9-(3-indol-1-ylpropyl)-2-oxa-9-azaspiro[4.5]decan-8-one
CID 97156715
9-[2-(2-methylquinolin-8-yl)oxyethyl]-2-oxa-9-azaspiro[4.5]decan-8-one
CID 72916661
9-[2-(2-ethylimidazol-1-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one
CID 72862931
(5S)-9-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-oxa-9-azaspiro[4.5]decan-8-one
CID 97145131
(5R)-9-[2-(4-benzylpiperazin-1-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one
CID 97127415
1-(2-pyridin-3-yloxyethyl)pyrrolidine-2,5-dione
CID 143380588
(5S)-9-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one
CID 97139210
2-[3-(pyridin-3-ylamino)propyl]-2,9-diazaspiro[5.5]undecan-3-one;dihydrochloride
CID 154925020
9-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-oxa-9-azaspiro[4.5]decan-8-one
CID 72903273

Frequently Asked Questions

What is the IUPAC name of (5R)-9-(3-pyridin-3-yloxypropyl)-2-oxa-9-azaspiro[4.5]decan-8-one?
The IUPAC name of (5R)-9-(3-pyridin-3-yloxypropyl)-2-oxa-9-azaspiro[4.5]decan-8-one (CID 97131962) is (5R)-9-(3-pyridin-3-yloxypropyl)-2-oxa-9-azaspiro[4.5]decan-8-one.
What is the SMILES notation for (5R)-9-(3-pyridin-3-yloxypropyl)-2-oxa-9-azaspiro[4.5]decan-8-one?
The canonical SMILES for (5R)-9-(3-pyridin-3-yloxypropyl)-2-oxa-9-azaspiro[4.5]decan-8-one is O=C1CC[C@@]2(CCOC2)CN1CCCOc1cccnc1.
What is the InChIKey of (5R)-9-(3-pyridin-3-yloxypropyl)-2-oxa-9-azaspiro[4.5]decan-8-one?
The InChIKey is QDCQISUOPPUPEY-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H22N2O3/c19-15-4-5-16(6-10-20-13-16)12-18(15)8-2-9-21-14-3-1-7-17-11-14/h1,3,7,11H,2,4-6,8-10,12-13H2/t16-/m1/s1.
What are the key properties of (5R)-9-(3-pyridin-3-yloxypropyl)-2-oxa-9-azaspiro[4.5]decan-8-one?
(5R)-9-(3-pyridin-3-yloxypropyl)-2-oxa-9-azaspiro[4.5]decan-8-one has a molecular weight of 290.36 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-9-(3-pyridin-3-yloxypropyl)-2-oxa-9-azaspiro[4.5]decan-8-one is sourced from PubChem (CID 97131962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).