cyclobutyl-[8-methyl-7-(oxazinane-2-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]methanone

C17H27N3O4 — CID 131693180

IUPACcyclobutyl-[8-methyl-7-(oxazinane-2-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]methanone
SMILESCN1CC2(CN(C(=O)C3CCC3)C2)OCC1C(=O)N1CCCCO1
InChIInChI=1S/C17H27N3O4/c1-18-10-17(11-19(12-17)15(21)13-5-4-6-13)23-9-14(18)16(22)20-7-2-3-8-24-20/h13-14H,2-12H2,1H3
InChIKeyNWUKYOPYVPTWKB-UHFFFAOYSA-N
MW337.42 g/mol
LogP0.25
Rot. Bonds2

About cyclobutyl-[8-methyl-7-(oxazinane-2-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]methanone

cyclobutyl-[8-methyl-7-(oxazinane-2-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]methanone (PubChem CID 131693180) has the molecular formula C17H27N3O4 and a molecular weight of 337.42 g/mol. Its IUPAC name is cyclobutyl-[8-methyl-7-(oxazinane-2-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[8-methyl-7-(oxazinane-2-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]methanone
PubChem CID131693180
Molecular FormulaC17H27N3O4
Molecular Weight337.42 g/mol
Exact Mass337.20
IUPAC Namecyclobutyl-[8-methyl-7-(oxazinane-2-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]methanone
SMILESCN1CC2(CN(C(=O)C3CCC3)C2)OCC1C(=O)N1CCCCO1
InChIInChI=1S/C17H27N3O4/c1-18-10-17(11-19(12-17)15(21)13-5-4-6-13)23-9-14(18)16(22)20-7-2-3-8-24-20/h13-14H,2-12H2,1H3
InChIKeyNWUKYOPYVPTWKB-UHFFFAOYSA-N
XLogP0.25
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(7S)-8-methyl-2-pyrimidin-2-yl-5-oxa-2,8-diazaspiro[3.5]nonan-7-yl]-(1,2-oxazolidin-2-yl)methanone
CID 124809338
[8-(cyclopropylmethyl)-2-methylsulfonyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-yl]-(oxazinan-2-yl)methanone
CID 133139786
[8-(cyclopropylmethyl)-2-(3-hydroxybenzoyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-yl]-(oxazinan-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155868816
(9-amino-1-oxa-4-azaspiro[5.5]undecan-4-yl)-cyclobutylmethanone
CID 165470181
cyclobutyl-(3-fluoro-3-methylazetidin-1-yl)methanone
CID 130890914
cyclopentyl(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)methanone
CID 130972053
cyclobutyl-[4-(1-methylazepane-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 131912157
2-butanoyl-N-cyclopentyl-8-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 131693074
N,N,8-trimethyl-2-pentanoyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 131693230
[(7R)-8-methyl-2-(pyridin-4-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-yl]-pyrrolidin-1-ylmethanone
CID 124815106
cyclopentyl-[8-(cyclopropanecarbonyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
CID 172884690
[(7R)-8-(cyclopropylmethyl)-2-(pyridin-3-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-yl]-(1,2-oxazolidin-2-yl)methanone
CID 124791278

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[8-methyl-7-(oxazinane-2-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]methanone?
The IUPAC name of cyclobutyl-[8-methyl-7-(oxazinane-2-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]methanone (CID 131693180) is cyclobutyl-[8-methyl-7-(oxazinane-2-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]methanone.
What is the SMILES notation for cyclobutyl-[8-methyl-7-(oxazinane-2-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]methanone?
The canonical SMILES for cyclobutyl-[8-methyl-7-(oxazinane-2-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]methanone is CN1CC2(CN(C(=O)C3CCC3)C2)OCC1C(=O)N1CCCCO1.
What is the InChIKey of cyclobutyl-[8-methyl-7-(oxazinane-2-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]methanone?
The InChIKey is NWUKYOPYVPTWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4/c1-18-10-17(11-19(12-17)15(21)13-5-4-6-13)23-9-14(18)16(22)20-7-2-3-8-24-20/h13-14H,2-12H2,1H3.
What are the key properties of cyclobutyl-[8-methyl-7-(oxazinane-2-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]methanone?
cyclobutyl-[8-methyl-7-(oxazinane-2-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]methanone has a molecular weight of 337.42 g/mol, XLogP of 0.25, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[8-methyl-7-(oxazinane-2-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]methanone is sourced from PubChem (CID 131693180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).