1-[9-(cyclopropanecarbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]ethanone

C14H22N2O3 — CID 95043244

IUPAC1-[9-(cyclopropanecarbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]ethanone
SMILESCC(=O)N1CCOC2(CCN(C(=O)C3CC3)CC2)C1
InChIInChI=1S/C14H22N2O3/c1-11(17)16-8-9-19-14(10-16)4-6-15(7-5-14)13(18)12-2-3-12/h12H,2-10H2,1H3
InChIKeyXHUOMNAMMBECKU-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.64
Rot. Bonds1

About 1-[9-(cyclopropanecarbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]ethanone

1-[9-(cyclopropanecarbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]ethanone (PubChem CID 95043244) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[9-(cyclopropanecarbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]ethanone.

Molecular Properties

Compound Name1-[9-(cyclopropanecarbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]ethanone
PubChem CID95043244
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name1-[9-(cyclopropanecarbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]ethanone
SMILESCC(=O)N1CCOC2(CCN(C(=O)C3CC3)CC2)C1
InChIInChI=1S/C14H22N2O3/c1-11(17)16-8-9-19-14(10-16)4-6-15(7-5-14)13(18)12-2-3-12/h12H,2-10H2,1H3
InChIKeyXHUOMNAMMBECKU-UHFFFAOYSA-N
XLogP0.64
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[9-(cyclopropanecarbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]ethanone?
The IUPAC name of 1-[9-(cyclopropanecarbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]ethanone (CID 95043244) is 1-[9-(cyclopropanecarbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]ethanone.
What is the SMILES notation for 1-[9-(cyclopropanecarbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]ethanone?
The canonical SMILES for 1-[9-(cyclopropanecarbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]ethanone is CC(=O)N1CCOC2(CCN(C(=O)C3CC3)CC2)C1.
What is the InChIKey of 1-[9-(cyclopropanecarbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]ethanone?
The InChIKey is XHUOMNAMMBECKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-11(17)16-8-9-19-14(10-16)4-6-15(7-5-14)13(18)12-2-3-12/h12H,2-10H2,1H3.
What are the key properties of 1-[9-(cyclopropanecarbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]ethanone?
1-[9-(cyclopropanecarbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]ethanone has a molecular weight of 266.34 g/mol, XLogP of 0.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9-(cyclopropanecarbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]ethanone is sourced from PubChem (CID 95043244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).