1-oxa-8-azaspiro[4.5]decan-3-yl N-benzylcarbamate

C16H22N2O3 — CID 107654733

IUPAC1-oxa-8-azaspiro[4.5]decan-3-yl N-benzylcarbamate
SMILESO=C(NCc1ccccc1)OC1COC2(CCNCC2)C1
InChIInChI=1S/C16H22N2O3/c19-15(18-11-13-4-2-1-3-5-13)21-14-10-16(20-12-14)6-8-17-9-7-16/h1-5,14,17H,6-12H2,(H,18,19)
InChIKeyQAWJDHVGZPRIDT-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.82
Rot. Bonds3

About 1-oxa-8-azaspiro[4.5]decan-3-yl N-benzylcarbamate

1-oxa-8-azaspiro[4.5]decan-3-yl N-benzylcarbamate (PubChem CID 107654733) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-oxa-8-azaspiro[4.5]decan-3-yl N-benzylcarbamate.

Molecular Properties

Compound Name1-oxa-8-azaspiro[4.5]decan-3-yl N-benzylcarbamate
PubChem CID107654733
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-oxa-8-azaspiro[4.5]decan-3-yl N-benzylcarbamate
SMILESO=C(NCc1ccccc1)OC1COC2(CCNCC2)C1
InChIInChI=1S/C16H22N2O3/c19-15(18-11-13-4-2-1-3-5-13)21-14-10-16(20-12-14)6-8-17-9-7-16/h1-5,14,17H,6-12H2,(H,18,19)
InChIKeyQAWJDHVGZPRIDT-UHFFFAOYSA-N
XLogP1.82
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-oxa-8-azaspiro[4.5]decan-3-yl N-ethylcarbamate
CID 102930703
1-oxa-8-azaspiro[4.5]decan-3-yl N-cyclobutylcarbamate
CID 102930707
(2,2-difluorospiro[2.5]octan-6-yl) N-benzylcarbamate
CID 177145440
1-oxa-8-azaspiro[4.5]decan-3-yl N,N-dimethylcarbamate
CID 102930688
4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecane
CID 86820394
[(3S)-2-oxopyrrolidin-3-yl] N-benzylcarbamate
CID 174732822
N-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;hydrochloride
CID 67393220
N-benzyl-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616012
[(3S,4S)-3-(hydroxymethyl)oxan-4-yl] N-benzylcarbamate
CID 70818689
4-anilino-N-benzylpiperidine-4-carboxamide
CID 53444066
2-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)pentanoic acid
CID 106941098
N-benzylpiperidine-4-carboxamide
CID 3868064

Frequently Asked Questions

What is the IUPAC name of 1-oxa-8-azaspiro[4.5]decan-3-yl N-benzylcarbamate?
The IUPAC name of 1-oxa-8-azaspiro[4.5]decan-3-yl N-benzylcarbamate (CID 107654733) is 1-oxa-8-azaspiro[4.5]decan-3-yl N-benzylcarbamate.
What is the SMILES notation for 1-oxa-8-azaspiro[4.5]decan-3-yl N-benzylcarbamate?
The canonical SMILES for 1-oxa-8-azaspiro[4.5]decan-3-yl N-benzylcarbamate is O=C(NCc1ccccc1)OC1COC2(CCNCC2)C1.
What is the InChIKey of 1-oxa-8-azaspiro[4.5]decan-3-yl N-benzylcarbamate?
The InChIKey is QAWJDHVGZPRIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c19-15(18-11-13-4-2-1-3-5-13)21-14-10-16(20-12-14)6-8-17-9-7-16/h1-5,14,17H,6-12H2,(H,18,19).
What are the key properties of 1-oxa-8-azaspiro[4.5]decan-3-yl N-benzylcarbamate?
1-oxa-8-azaspiro[4.5]decan-3-yl N-benzylcarbamate has a molecular weight of 290.36 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxa-8-azaspiro[4.5]decan-3-yl N-benzylcarbamate is sourced from PubChem (CID 107654733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).