9-(4-hydroxycyclohexyl)-1-(5-methyl-2H-triazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one

C18H27N5O3 — CID 162631887

IUPAC9-(4-hydroxycyclohexyl)-1-(5-methyl-2H-triazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESCc1n[nH]nc1C(=O)N1CCCC12CCCN(C1CCC(O)CC1)C2=O
InChIInChI=1S/C18H27N5O3/c1-12-15(20-21-19-12)16(25)23-11-3-9-18(23)8-2-10-22(17(18)26)13-4-6-14(24)7-5-13/h13-14,24H,2-11H2,1H3,(H,19,20,21)
InChIKeyRUZJSJUHPUTEOE-UHFFFAOYSA-N
MW361.45 g/mol
LogP1.01
Rot. Bonds2

About 9-(4-hydroxycyclohexyl)-1-(5-methyl-2H-triazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one

9-(4-hydroxycyclohexyl)-1-(5-methyl-2H-triazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162631887) has the molecular formula C18H27N5O3 and a molecular weight of 361.45 g/mol. Its IUPAC name is 9-(4-hydroxycyclohexyl)-1-(5-methyl-2H-triazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name9-(4-hydroxycyclohexyl)-1-(5-methyl-2H-triazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
PubChem CID162631887
Molecular FormulaC18H27N5O3
Molecular Weight361.45 g/mol
Exact Mass361.21
IUPAC Name9-(4-hydroxycyclohexyl)-1-(5-methyl-2H-triazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESCc1n[nH]nc1C(=O)N1CCCC12CCCN(C1CCC(O)CC1)C2=O
InChIInChI=1S/C18H27N5O3/c1-12-15(20-21-19-12)16(25)23-11-3-9-18(23)8-2-10-22(17(18)26)13-4-6-14(24)7-5-13/h13-14,24H,2-11H2,1H3,(H,19,20,21)
InChIKeyRUZJSJUHPUTEOE-UHFFFAOYSA-N
XLogP1.01
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(4-hydroxycyclohexyl)-1-(5-methyl-2H-triazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 9-(4-hydroxycyclohexyl)-1-(5-methyl-2H-triazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one (CID 162631887) is 9-(4-hydroxycyclohexyl)-1-(5-methyl-2H-triazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 9-(4-hydroxycyclohexyl)-1-(5-methyl-2H-triazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 9-(4-hydroxycyclohexyl)-1-(5-methyl-2H-triazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one is Cc1n[nH]nc1C(=O)N1CCCC12CCCN(C1CCC(O)CC1)C2=O.
What is the InChIKey of 9-(4-hydroxycyclohexyl)-1-(5-methyl-2H-triazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is RUZJSJUHPUTEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O3/c1-12-15(20-21-19-12)16(25)23-11-3-9-18(23)8-2-10-22(17(18)26)13-4-6-14(24)7-5-13/h13-14,24H,2-11H2,1H3,(H,19,20,21).
What are the key properties of 9-(4-hydroxycyclohexyl)-1-(5-methyl-2H-triazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one?
9-(4-hydroxycyclohexyl)-1-(5-methyl-2H-triazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 361.45 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-hydroxycyclohexyl)-1-(5-methyl-2H-triazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162631887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).