N-(1-oxaspiro[4.5]decan-3-yl)-1-phenyltriazole-4-carboxamide

C18H22N4O2 — CID 56901358

IUPACN-(1-oxaspiro[4.5]decan-3-yl)-1-phenyltriazole-4-carboxamide
SMILESO=C(NC1COC2(CCCCC2)C1)c1cn(-c2ccccc2)nn1
InChIInChI=1S/C18H22N4O2/c23-17(16-12-22(21-20-16)15-7-3-1-4-8-15)19-14-11-18(24-13-14)9-5-2-6-10-18/h1,3-4,7-8,12,14H,2,5-6,9-11,13H2,(H,19,23)
InChIKeyVFRBZIVIIRACFX-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.49
Rot. Bonds3

About N-(1-oxaspiro[4.5]decan-3-yl)-1-phenyltriazole-4-carboxamide

N-(1-oxaspiro[4.5]decan-3-yl)-1-phenyltriazole-4-carboxamide (PubChem CID 56901358) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(1-oxaspiro[4.5]decan-3-yl)-1-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-oxaspiro[4.5]decan-3-yl)-1-phenyltriazole-4-carboxamide
PubChem CID56901358
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-(1-oxaspiro[4.5]decan-3-yl)-1-phenyltriazole-4-carboxamide
SMILESO=C(NC1COC2(CCCCC2)C1)c1cn(-c2ccccc2)nn1
InChIInChI=1S/C18H22N4O2/c23-17(16-12-22(21-20-16)15-7-3-1-4-8-15)19-14-11-18(24-13-14)9-5-2-6-10-18/h1,3-4,7-8,12,14H,2,5-6,9-11,13H2,(H,19,23)
InChIKeyVFRBZIVIIRACFX-UHFFFAOYSA-N
XLogP2.49
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-4-(tetrazol-1-yl)benzamide
CID 124851841
4-[(1-phenyltriazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119230187
1-phenyl-N-piperidin-3-yltriazole-4-carboxamide
CID 119425815
N-[(1-hydroxycycloheptyl)methyl]-1-phenyltriazole-4-carboxamide
CID 111433180
N-[(1R,2R)-2-hydroxycyclohexyl]-1-phenyltriazole-4-carboxamide
CID 104927751
5-chloro-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]pyridine-2-carboxamide
CID 126423666
N-(1-oxaspiro[4.5]decan-3-yl)pyridine-4-carboxamide
CID 91767897
N-[1-(aminomethyl)cyclopentyl]-1-phenyltriazole-4-carboxamide;hydrochloride
CID 119566010
2-anilino-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]pyrimidine-5-carboxamide
CID 126451939
N-[(3S,5S)-5-(diethylcarbamoyl)-1-methylpyrrolidin-3-yl]-1-phenyltriazole-4-carboxamide
CID 72849809
N-(1-oxaspiro[4.5]decan-3-yl)-1H-pyrazole-4-carboxamide
CID 77091991
2-morpholin-4-yl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]benzamide
CID 125165608

Frequently Asked Questions

What is the IUPAC name of N-(1-oxaspiro[4.5]decan-3-yl)-1-phenyltriazole-4-carboxamide?
The IUPAC name of N-(1-oxaspiro[4.5]decan-3-yl)-1-phenyltriazole-4-carboxamide (CID 56901358) is N-(1-oxaspiro[4.5]decan-3-yl)-1-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-(1-oxaspiro[4.5]decan-3-yl)-1-phenyltriazole-4-carboxamide?
The canonical SMILES for N-(1-oxaspiro[4.5]decan-3-yl)-1-phenyltriazole-4-carboxamide is O=C(NC1COC2(CCCCC2)C1)c1cn(-c2ccccc2)nn1.
What is the InChIKey of N-(1-oxaspiro[4.5]decan-3-yl)-1-phenyltriazole-4-carboxamide?
The InChIKey is VFRBZIVIIRACFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c23-17(16-12-22(21-20-16)15-7-3-1-4-8-15)19-14-11-18(24-13-14)9-5-2-6-10-18/h1,3-4,7-8,12,14H,2,5-6,9-11,13H2,(H,19,23).
What are the key properties of N-(1-oxaspiro[4.5]decan-3-yl)-1-phenyltriazole-4-carboxamide?
N-(1-oxaspiro[4.5]decan-3-yl)-1-phenyltriazole-4-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxaspiro[4.5]decan-3-yl)-1-phenyltriazole-4-carboxamide is sourced from PubChem (CID 56901358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).