N-(1-acetylpiperidin-4-yl)-1-(azetidin-3-yl)triazole-4-carboxamide

C13H20N6O2 — CID 79318572

IUPACN-(1-acetylpiperidin-4-yl)-1-(azetidin-3-yl)triazole-4-carboxamide
SMILESCC(=O)N1CCC(NC(=O)c2cn(C3CNC3)nn2)CC1
InChIInChI=1S/C13H20N6O2/c1-9(20)18-4-2-10(3-5-18)15-13(21)12-8-19(17-16-12)11-6-14-7-11/h8,10-11,14H,2-7H2,1H3,(H,15,21)
InChIKeySJDCCGZATIJWIZ-UHFFFAOYSA-N
MW292.34 g/mol
LogP-0.84
Rot. Bonds3

About N-(1-acetylpiperidin-4-yl)-1-(azetidin-3-yl)triazole-4-carboxamide

N-(1-acetylpiperidin-4-yl)-1-(azetidin-3-yl)triazole-4-carboxamide (PubChem CID 79318572) has the molecular formula C13H20N6O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-1-(azetidin-3-yl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-1-(azetidin-3-yl)triazole-4-carboxamide
PubChem CID79318572
Molecular FormulaC13H20N6O2
Molecular Weight292.34 g/mol
Exact Mass292.16
IUPAC NameN-(1-acetylpiperidin-4-yl)-1-(azetidin-3-yl)triazole-4-carboxamide
SMILESCC(=O)N1CCC(NC(=O)c2cn(C3CNC3)nn2)CC1
InChIInChI=1S/C13H20N6O2/c1-9(20)18-4-2-10(3-5-18)15-13(21)12-8-19(17-16-12)11-6-14-7-11/h8,10-11,14H,2-7H2,1H3,(H,15,21)
InChIKeySJDCCGZATIJWIZ-UHFFFAOYSA-N
XLogP-0.84
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(azetidin-3-yl)-N-(2,2,3,3-tetramethylcyclopropyl)triazole-4-carboxamide
CID 79362782
1-(azetidin-3-yl)-N-(2-hydroxycyclohexyl)triazole-4-carboxamide
CID 79316545
1-(1-acetylpiperidin-4-yl)triazole-4-carbohydrazide
CID 135077480
1-(azetidin-3-yl)-N-ethoxytriazole-4-carboxamide
CID 79316945
1-(azetidin-3-yl)-N-pentan-3-yltriazole-4-carboxamide
CID 79316819
N-[1-(2-methylpropyl)piperidin-4-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119841077
[1-(azetidin-3-yl)triazol-4-yl]-(4-methoxypiperidin-1-yl)methanone
CID 79316756
1-(azetidin-3-yl)-N-(3-methoxypropyl)triazole-4-carboxamide
CID 79316040
1-(azetidin-3-yl)-N-[2-(hydroxymethyl)cyclopentyl]triazole-4-carboxamide
CID 106361221
methyl 2-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]acetate
CID 79317214
N-(4-aminocyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63284768
1-(azetidin-3-yl)-N-(2-oxopiperidin-3-yl)triazole-4-carboxamide
CID 79317007

Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpiperidin-4-yl)-1-(azetidin-3-yl)triazole-4-carboxamide?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-1-(azetidin-3-yl)triazole-4-carboxamide (CID 79318572) is N-(1-acetylpiperidin-4-yl)-1-(azetidin-3-yl)triazole-4-carboxamide.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-1-(azetidin-3-yl)triazole-4-carboxamide?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-1-(azetidin-3-yl)triazole-4-carboxamide is CC(=O)N1CCC(NC(=O)c2cn(C3CNC3)nn2)CC1.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-1-(azetidin-3-yl)triazole-4-carboxamide?
The InChIKey is SJDCCGZATIJWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O2/c1-9(20)18-4-2-10(3-5-18)15-13(21)12-8-19(17-16-12)11-6-14-7-11/h8,10-11,14H,2-7H2,1H3,(H,15,21).
What are the key properties of N-(1-acetylpiperidin-4-yl)-1-(azetidin-3-yl)triazole-4-carboxamide?
N-(1-acetylpiperidin-4-yl)-1-(azetidin-3-yl)triazole-4-carboxamide has a molecular weight of 292.34 g/mol, XLogP of -0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpiperidin-4-yl)-1-(azetidin-3-yl)triazole-4-carboxamide is sourced from PubChem (CID 79318572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).