5-cyclopropyl-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)triazole-4-carboxylic acid

C14H20N4O3 — CID 62055276

IUPAC5-cyclopropyl-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)triazole-4-carboxylic acid
SMILESCC(C(=O)N1CCCCC1)n1nnc(C(=O)O)c1C1CC1
InChIInChI=1S/C14H20N4O3/c1-9(13(19)17-7-3-2-4-8-17)18-12(10-5-6-10)11(14(20)21)15-16-18/h9-10H,2-8H2,1H3,(H,20,21)
InChIKeyFJIHQPBHVOJXFF-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.43
Rot. Bonds4

About 5-cyclopropyl-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)triazole-4-carboxylic acid

5-cyclopropyl-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)triazole-4-carboxylic acid (PubChem CID 62055276) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 5-cyclopropyl-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)triazole-4-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)triazole-4-carboxylic acid
PubChem CID62055276
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name5-cyclopropyl-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)triazole-4-carboxylic acid
SMILESCC(C(=O)N1CCCCC1)n1nnc(C(=O)O)c1C1CC1
InChIInChI=1S/C14H20N4O3/c1-9(13(19)17-7-3-2-4-8-17)18-12(10-5-6-10)11(14(20)21)15-16-18/h9-10H,2-8H2,1H3,(H,20,21)
InChIKeyFJIHQPBHVOJXFF-UHFFFAOYSA-N
XLogP1.43
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-carboxyethyl)-5-cyclobutyltriazole-4-carboxylic acid
CID 82202471
5-cyclopropyl-1-[1-(dimethylamino)-1-oxopropan-2-yl]triazole-4-carboxylic acid
CID 62053744
5-(difluoromethyl)-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)triazole-4-carboxylic acid
CID 102644445
1-(1-oxo-1-piperidin-1-ylpropan-2-yl)-5-propyltriazole-4-carboxylic acid
CID 62054754
5-(2-methylpropyl)-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)triazole-4-carboxylic acid
CID 102645615
methyl 1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-5-propyltriazole-4-carboxylate
CID 103113726
2-[1-(azepan-1-yl)-1-oxopropan-2-yl]-6-cyclopropylpyridazin-3-one
CID 122278751
5-cyclopropyl-1-ethyltriazole-4-carboxylic acid
CID 62055602
5-cyclopentyl-1-(2-hydroxypropyl)triazole-4-carboxylic acid
CID 165475519
1,5-dicyclopropyltriazole-4-carboxylic acid
CID 105446875
methyl 5-(2-aminoethyl)-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)triazole-4-carboxylate
CID 103118473
5-cyclopropyl-1-(4-methylpentyl)triazole-4-carboxylic acid
CID 83161633

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)triazole-4-carboxylic acid?
The IUPAC name of 5-cyclopropyl-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)triazole-4-carboxylic acid (CID 62055276) is 5-cyclopropyl-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)triazole-4-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)triazole-4-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)triazole-4-carboxylic acid is CC(C(=O)N1CCCCC1)n1nnc(C(=O)O)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)triazole-4-carboxylic acid?
The InChIKey is FJIHQPBHVOJXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-9(13(19)17-7-3-2-4-8-17)18-12(10-5-6-10)11(14(20)21)15-16-18/h9-10H,2-8H2,1H3,(H,20,21).
What are the key properties of 5-cyclopropyl-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)triazole-4-carboxylic acid?
5-cyclopropyl-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)triazole-4-carboxylic acid has a molecular weight of 292.34 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)triazole-4-carboxylic acid is sourced from PubChem (CID 62055276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).