5-(4-hydroxypentyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one

C13H24N2O3 — CID 154059531

IUPAC5-(4-hydroxypentyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one
SMILESCC(O)CCCC1CNC(=O)OC12CCNCC2
InChIInChI=1S/C13H24N2O3/c1-10(16)3-2-4-11-9-15-12(17)18-13(11)5-7-14-8-6-13/h10-11,14,16H,2-9H2,1H3,(H,15,17)
InChIKeyQMRMPTUWUDFCAY-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.02
Rot. Bonds4

About 5-(4-hydroxypentyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one

5-(4-hydroxypentyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one (PubChem CID 154059531) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 5-(4-hydroxypentyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name5-(4-hydroxypentyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one
PubChem CID154059531
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name5-(4-hydroxypentyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one
SMILESCC(O)CCCC1CNC(=O)OC12CCNCC2
InChIInChI=1S/C13H24N2O3/c1-10(16)3-2-4-11-9-15-12(17)18-13(11)5-7-14-8-6-13/h10-11,14,16H,2-9H2,1H3,(H,15,17)
InChIKeyQMRMPTUWUDFCAY-UHFFFAOYSA-N
XLogP1.02
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Trans-N-t-butoxycarbonyl-4-(1-hydroxyethyl)cyclohexylmethylamine
CID 22106811
tert-butyl N-[(2S)-2-(cyclohexylmethyl)-3-hydroxypropyl]carbamate
CID 59522935
Tert-butyl 3-cyclohexyl-3-hydroxypropylcarbamate
CID 59868397
5-[(4-Methoxycyclohexyl)methyl]-1-oxa-3,9-diazaspiro[5.5]undecan-2-one
CID 68758424
5-[(4-Hydroxycyclohexyl)methyl]-1-oxa-3,9-diazaspiro[5.5]undecan-2-one
CID 68760463
(6R)-6-(3-hydroxypropyl)-6-propan-2-yl-1,3-oxazinan-2-one
CID 143887126
5-Pentyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one
CID 154260442
Tert-butyl 4-hydroxy-2-(2-methylpropyl)piperidine-1-carboxylate;2-(2-methylpropyl)piperidin-4-ol
CID 158881142
Tert-butyl 4-(2-(4-hydroxypiperidin-4-yl)ethyl)piperidine-1-carboxylate
CID 164720316
Tert-butyl 9-[hydroxy(piperidin-4-yl)methyl]-3-azaspiro[5.5]undecane-3-carboxylate
CID 171473639
[4-[4-(Hydroxymethyl)piperidin-2-yl]-2,3-dimethylbutan-2-yl] carbamate
CID 174511222
Tert-butyl 4-(2-hydroxy-3-piperidin-4-ylpropyl)piperidine-1-carboxylate
CID 177321351

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxypentyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one?
The IUPAC name of 5-(4-hydroxypentyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one (CID 154059531) is 5-(4-hydroxypentyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one.
What is the SMILES notation for 5-(4-hydroxypentyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one?
The canonical SMILES for 5-(4-hydroxypentyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one is CC(O)CCCC1CNC(=O)OC12CCNCC2.
What is the InChIKey of 5-(4-hydroxypentyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one?
The InChIKey is QMRMPTUWUDFCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-10(16)3-2-4-11-9-15-12(17)18-13(11)5-7-14-8-6-13/h10-11,14,16H,2-9H2,1H3,(H,15,17).
What are the key properties of 5-(4-hydroxypentyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one?
5-(4-hydroxypentyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one has a molecular weight of 256.35 g/mol, XLogP of 1.02, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxypentyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one is sourced from PubChem (CID 154059531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).