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1-[9-(3-methylcyclohexanecarbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-(tetrazol-1-yl)ethanone

C19H30N6O3 — CID 167771813

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-[9-(3-methylcyclohexanecarbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-(tetrazol-1-yl)ethanone
SMILESCC1CCCC(C(=O)N2CCC3(CC2)CN(C(=O)Cn2cnnn2)CCO3)C1
InChIInChI=1S/C19H30N6O3/c1-15-3-2-4-16(11-15)18(27)23-7-5-19(6-8-23)13-24(9-10-28-19)17(26)12-25-14-20-21-22-25/h14-16H,2-13H2,1H3
InChIKeyIADWOEJXDVPNOZ-UHFFFAOYSA-N
MW390.49 g/mol
LogP0.72
Rot. Bonds3

About 1-[9-(3-methylcyclohexanecarbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-(tetrazol-1-yl)ethanone

1-[9-(3-methylcyclohexanecarbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-(tetrazol-1-yl)ethanone (PubChem CID 167771813) has the molecular formula C19H30N6O3 and a molecular weight of 390.49 g/mol. Its IUPAC name is 1-[9-(3-methylcyclohexanecarbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-(tetrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[9-(3-methylcyclohexanecarbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-(tetrazol-1-yl)ethanone
PubChem CID167771813
Molecular FormulaC19H30N6O3
Molecular Weight390.49 g/mol
Exact Mass390.24
IUPAC Name1-[9-(3-methylcyclohexanecarbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-(tetrazol-1-yl)ethanone
SMILESCC1CCCC(C(=O)N2CCC3(CC2)CN(C(=O)Cn2cnnn2)CCO3)C1
InChIInChI=1S/C19H30N6O3/c1-15-3-2-4-16(11-15)18(27)23-7-5-19(6-8-23)13-24(9-10-28-19)17(26)12-25-14-20-21-22-25/h14-16H,2-13H2,1H3
InChIKeyIADWOEJXDVPNOZ-UHFFFAOYSA-N
XLogP0.72
TPSA93.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[9-(3-methylcyclohexanecarbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-(tetrazol-1-yl)ethanone?
The IUPAC name of 1-[9-(3-methylcyclohexanecarbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-(tetrazol-1-yl)ethanone (CID 167771813) is 1-[9-(3-methylcyclohexanecarbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-(tetrazol-1-yl)ethanone.
What is the SMILES notation for 1-[9-(3-methylcyclohexanecarbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-(tetrazol-1-yl)ethanone?
The canonical SMILES for 1-[9-(3-methylcyclohexanecarbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-(tetrazol-1-yl)ethanone is CC1CCCC(C(=O)N2CCC3(CC2)CN(C(=O)Cn2cnnn2)CCO3)C1.
What is the InChIKey of 1-[9-(3-methylcyclohexanecarbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-(tetrazol-1-yl)ethanone?
The InChIKey is IADWOEJXDVPNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6O3/c1-15-3-2-4-16(11-15)18(27)23-7-5-19(6-8-23)13-24(9-10-28-19)17(26)12-25-14-20-21-22-25/h14-16H,2-13H2,1H3.
What are the key properties of 1-[9-(3-methylcyclohexanecarbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-(tetrazol-1-yl)ethanone?
1-[9-(3-methylcyclohexanecarbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-(tetrazol-1-yl)ethanone has a molecular weight of 390.49 g/mol, XLogP of 0.72, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9-(3-methylcyclohexanecarbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-(tetrazol-1-yl)ethanone is sourced from PubChem (CID 167771813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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