[1-(cyclopropylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-(oxolan-2-yl)methanone

C17H28N2O3 — CID 118738843

IUPAC[1-(cyclopropylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCC2(CC1)COCCN2CC1CC1
InChIInChI=1S/C17H28N2O3/c20-16(15-2-1-10-22-15)18-7-5-17(6-8-18)13-21-11-9-19(17)12-14-3-4-14/h14-15H,1-13H2
InChIKeyRWBCFITTWWNLMJ-UHFFFAOYSA-N
MW308.42 g/mol
LogP1.27
Rot. Bonds3

About [1-(cyclopropylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-(oxolan-2-yl)methanone

[1-(cyclopropylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-(oxolan-2-yl)methanone (PubChem CID 118738843) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is [1-(cyclopropylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[1-(cyclopropylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-(oxolan-2-yl)methanone
PubChem CID118738843
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name[1-(cyclopropylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCC2(CC1)COCCN2CC1CC1
InChIInChI=1S/C17H28N2O3/c20-16(15-2-1-10-22-15)18-7-5-17(6-8-18)13-21-11-9-19(17)12-14-3-4-14/h14-15H,1-13H2
InChIKeyRWBCFITTWWNLMJ-UHFFFAOYSA-N
XLogP1.27
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [1-(cyclopropylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-(oxolan-2-yl)methanone with MolForge

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Related Compounds

2-oxa-7-azaspiro[3.5]nonan-7-yl(oxolan-2-yl)methanone
CID 131655037
[(6R)-11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-[(2S)-oxolan-2-yl]methanone
CID 97494457
cyclopentyl-(1-ethyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 97491865
[1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(oxolan-2-yl)methanone
CID 134070329
[1-(cyclopropylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-pyridin-2-ylmethanone
CID 97491916
[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 113073657
4-methyl-1-[(2S)-oxolane-2-carbonyl]piperidine-4-carboxylic acid
CID 95015441
2-cyclohexyl-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 71944684
3-ethyl-1-[(2S)-oxolane-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 104855679
morpholin-4-yl(oxetan-2-yl)methanone
CID 130874953
[1-(cyclopropylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-(1H-indol-5-yl)methanone;2,2,2-trifluoroacetic acid
CID 155849715
[4-(ethylaminomethyl)-4-hydroxypiperidin-1-yl]-(oxolan-2-yl)methanone
CID 82044811

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [1-(cyclopropylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-(oxolan-2-yl)methanone (CID 118738843) is [1-(cyclopropylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [1-(cyclopropylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [1-(cyclopropylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-(oxolan-2-yl)methanone is O=C(C1CCCO1)N1CCC2(CC1)COCCN2CC1CC1.
What is the InChIKey of [1-(cyclopropylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-(oxolan-2-yl)methanone?
The InChIKey is RWBCFITTWWNLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c20-16(15-2-1-10-22-15)18-7-5-17(6-8-18)13-21-11-9-19(17)12-14-3-4-14/h14-15H,1-13H2.
What are the key properties of [1-(cyclopropylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-(oxolan-2-yl)methanone?
[1-(cyclopropylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-(oxolan-2-yl)methanone has a molecular weight of 308.42 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 118738843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).