2-cyclohexyl-1-[4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone

C22H34N4O2 — CID 146067696

IUPAC2-cyclohexyl-1-[4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone
SMILESO=C(CC1CCCCC1)N1CC(c2nncn2CC2CC2)C2(CCOCC2)C1
InChIInChI=1S/C22H34N4O2/c27-20(12-17-4-2-1-3-5-17)25-14-19(22(15-25)8-10-28-11-9-22)21-24-23-16-26(21)13-18-6-7-18/h16-19H,1-15H2
InChIKeyHDQIJIMYDFOUCL-UHFFFAOYSA-N
MW386.54 g/mol
LogP3.38
Rot. Bonds5

About 2-cyclohexyl-1-[4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone

2-cyclohexyl-1-[4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone (PubChem CID 146067696) has the molecular formula C22H34N4O2 and a molecular weight of 386.54 g/mol. Its IUPAC name is 2-cyclohexyl-1-[4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-[4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone
PubChem CID146067696
Molecular FormulaC22H34N4O2
Molecular Weight386.54 g/mol
Exact Mass386.27
IUPAC Name2-cyclohexyl-1-[4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone
SMILESO=C(CC1CCCCC1)N1CC(c2nncn2CC2CC2)C2(CCOCC2)C1
InChIInChI=1S/C22H34N4O2/c27-20(12-17-4-2-1-3-5-17)25-14-19(22(15-25)8-10-28-11-9-22)21-24-23-16-26(21)13-18-6-7-18/h16-19H,1-15H2
InChIKeyHDQIJIMYDFOUCL-UHFFFAOYSA-N
XLogP3.38
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-[4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone?
The IUPAC name of 2-cyclohexyl-1-[4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone (CID 146067696) is 2-cyclohexyl-1-[4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone.
What is the SMILES notation for 2-cyclohexyl-1-[4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone?
The canonical SMILES for 2-cyclohexyl-1-[4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone is O=C(CC1CCCCC1)N1CC(c2nncn2CC2CC2)C2(CCOCC2)C1.
What is the InChIKey of 2-cyclohexyl-1-[4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone?
The InChIKey is HDQIJIMYDFOUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O2/c27-20(12-17-4-2-1-3-5-17)25-14-19(22(15-25)8-10-28-11-9-22)21-24-23-16-26(21)13-18-6-7-18/h16-19H,1-15H2.
What are the key properties of 2-cyclohexyl-1-[4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone?
2-cyclohexyl-1-[4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone has a molecular weight of 386.54 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-[4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone is sourced from PubChem (CID 146067696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).