N-cyclopropyl-8-(1-methyl-1,2,4-triazole-3-carbonyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide

C15H20N6O3 — CID 131685892

IUPACN-cyclopropyl-8-(1-methyl-1,2,4-triazole-3-carbonyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide
SMILESCn1cnc(C(=O)N2CCC3(CC2)CC(C(=O)NC2CC2)=NO3)n1
InChIInChI=1S/C15H20N6O3/c1-20-9-16-12(18-20)14(23)21-6-4-15(5-7-21)8-11(19-24-15)13(22)17-10-2-3-10/h9-10H,2-8H2,1H3,(H,17,22)
InChIKeyPPPBWNWOSQTNLP-UHFFFAOYSA-N
MW332.36 g/mol
LogP-0.16
Rot. Bonds3

About N-cyclopropyl-8-(1-methyl-1,2,4-triazole-3-carbonyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide

N-cyclopropyl-8-(1-methyl-1,2,4-triazole-3-carbonyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide (PubChem CID 131685892) has the molecular formula C15H20N6O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is N-cyclopropyl-8-(1-methyl-1,2,4-triazole-3-carbonyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-8-(1-methyl-1,2,4-triazole-3-carbonyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide
PubChem CID131685892
Molecular FormulaC15H20N6O3
Molecular Weight332.36 g/mol
Exact Mass332.16
IUPAC NameN-cyclopropyl-8-(1-methyl-1,2,4-triazole-3-carbonyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide
SMILESCn1cnc(C(=O)N2CCC3(CC2)CC(C(=O)NC2CC2)=NO3)n1
InChIInChI=1S/C15H20N6O3/c1-20-9-16-12(18-20)14(23)21-6-4-15(5-7-21)8-11(19-24-15)13(22)17-10-2-3-10/h9-10H,2-8H2,1H3,(H,17,22)
InChIKeyPPPBWNWOSQTNLP-UHFFFAOYSA-N
XLogP-0.16
TPSA101.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

8-(2-chloropyridine-3-carbonyl)-N-cyclopentyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 10222019
N-cyclopropyl-8-(1-fluorocyclobutanecarbonyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 131686652
N-cyclopropyl-8-(3-hydroxycyclobutanecarbonyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 131685924
N-cyclobutyl-8-[2-(3-methyl-1,2,4-oxadiazol-5-yl)acetyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 131696832
(5S)-N-cyclobutyl-7-[[4-(dimethylamino)phenyl]methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97396180
N-cyclobutyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 134069854
7-N-cyclopentyl-3-N-[(5-methylpyrazin-2-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxamide
CID 131653882
[3-(cyclopropylmethoxymethyl)-8-(1-methyl-1,2,4-triazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-phenylmethanone
CID 131679974
N-cyclopropyl-1-methyl-1'-(4-methyl-1,3-oxazole-5-carbonyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
CID 146069530
ethyl 3-[[8-(3,5-difluorobenzoyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carbonyl]amino]propanoate
CID 10180629
7-N-cyclohexyl-3-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxamide
CID 131640383
1-methyl-N-[1-(spiro[5.5]undecane-4-carbonyl)azetidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 166374279

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-8-(1-methyl-1,2,4-triazole-3-carbonyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The IUPAC name of N-cyclopropyl-8-(1-methyl-1,2,4-triazole-3-carbonyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide (CID 131685892) is N-cyclopropyl-8-(1-methyl-1,2,4-triazole-3-carbonyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-8-(1-methyl-1,2,4-triazole-3-carbonyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The canonical SMILES for N-cyclopropyl-8-(1-methyl-1,2,4-triazole-3-carbonyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide is Cn1cnc(C(=O)N2CCC3(CC2)CC(C(=O)NC2CC2)=NO3)n1.
What is the InChIKey of N-cyclopropyl-8-(1-methyl-1,2,4-triazole-3-carbonyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The InChIKey is PPPBWNWOSQTNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O3/c1-20-9-16-12(18-20)14(23)21-6-4-15(5-7-21)8-11(19-24-15)13(22)17-10-2-3-10/h9-10H,2-8H2,1H3,(H,17,22).
What are the key properties of N-cyclopropyl-8-(1-methyl-1,2,4-triazole-3-carbonyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide?
N-cyclopropyl-8-(1-methyl-1,2,4-triazole-3-carbonyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide has a molecular weight of 332.36 g/mol, XLogP of -0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-8-(1-methyl-1,2,4-triazole-3-carbonyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide is sourced from PubChem (CID 131685892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).