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

C14H22N4O3 — CID 62054754

IUPAC1-(1-oxo-1-piperidin-1-ylpropan-2-yl)-5-propyltriazole-4-carboxylic acid
SMILESCCCc1c(C(=O)O)nnn1C(C)C(=O)N1CCCCC1
InChIInChI=1S/C14H22N4O3/c1-3-7-11-12(14(20)21)15-16-18(11)10(2)13(19)17-8-5-4-6-9-17/h10H,3-9H2,1-2H3,(H,20,21)
InChIKeyYUSFQRJEAYRQGX-UHFFFAOYSA-N
MW294.36 g/mol
LogP1.50
Rot. Bonds5

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

1-(1-oxo-1-piperidin-1-ylpropan-2-yl)-5-propyltriazole-4-carboxylic acid (PubChem CID 62054754) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is 1-(1-oxo-1-piperidin-1-ylpropan-2-yl)-5-propyltriazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(1-oxo-1-piperidin-1-ylpropan-2-yl)-5-propyltriazole-4-carboxylic acid
PubChem CID62054754
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Name1-(1-oxo-1-piperidin-1-ylpropan-2-yl)-5-propyltriazole-4-carboxylic acid
SMILESCCCc1c(C(=O)O)nnn1C(C)C(=O)N1CCCCC1
InChIInChI=1S/C14H22N4O3/c1-3-7-11-12(14(20)21)15-16-18(11)10(2)13(19)17-8-5-4-6-9-17/h10H,3-9H2,1-2H3,(H,20,21)
InChIKeyYUSFQRJEAYRQGX-UHFFFAOYSA-N
XLogP1.50
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-5-propyltriazole-4-carboxylate
CID 103113726
5-(2-methylpropyl)-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)triazole-4-carboxylic acid
CID 102645615
1-[1-(methylamino)-1-oxopropan-2-yl]-5-propyltriazole-4-carboxylic acid
CID 55030098
5-(difluoromethyl)-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)triazole-4-carboxylic acid
CID 102644445
1-[1-oxo-1-(propylamino)propan-2-yl]-5-propyltriazole-4-carboxylic acid
CID 62053727
methyl 5-(2-aminoethyl)-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)triazole-4-carboxylate
CID 103118473
1-[1-(carbamoylamino)-1-oxopropan-2-yl]-5-propyltriazole-4-carboxylic acid
CID 62053728
5-cyclopropyl-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)triazole-4-carboxylic acid
CID 62055276
1-[1-(butylamino)-1-oxopropan-2-yl]-5-propyltriazole-4-carboxylic acid
CID 62053896
5-(2-aminoethyl)-1-[1-oxo-1-(propylamino)propan-2-yl]triazole-4-carboxylic acid
CID 103119141
1-(2,2-difluoroethyl)-5-propyltriazole-4-carboxylic acid
CID 62054405
5-(2-aminoethyl)-1-[1-oxo-1-(pentylamino)propan-2-yl]triazole-4-carboxylic acid
CID 103118965

Frequently Asked Questions

What is the IUPAC name of 1-(1-oxo-1-piperidin-1-ylpropan-2-yl)-5-propyltriazole-4-carboxylic acid?
The IUPAC name of 1-(1-oxo-1-piperidin-1-ylpropan-2-yl)-5-propyltriazole-4-carboxylic acid (CID 62054754) is 1-(1-oxo-1-piperidin-1-ylpropan-2-yl)-5-propyltriazole-4-carboxylic acid.
What is the SMILES notation for 1-(1-oxo-1-piperidin-1-ylpropan-2-yl)-5-propyltriazole-4-carboxylic acid?
The canonical SMILES for 1-(1-oxo-1-piperidin-1-ylpropan-2-yl)-5-propyltriazole-4-carboxylic acid is CCCc1c(C(=O)O)nnn1C(C)C(=O)N1CCCCC1.
What is the InChIKey of 1-(1-oxo-1-piperidin-1-ylpropan-2-yl)-5-propyltriazole-4-carboxylic acid?
The InChIKey is YUSFQRJEAYRQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-3-7-11-12(14(20)21)15-16-18(11)10(2)13(19)17-8-5-4-6-9-17/h10H,3-9H2,1-2H3,(H,20,21).
What are the key properties of 1-(1-oxo-1-piperidin-1-ylpropan-2-yl)-5-propyltriazole-4-carboxylic acid?
1-(1-oxo-1-piperidin-1-ylpropan-2-yl)-5-propyltriazole-4-carboxylic acid has a molecular weight of 294.36 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-oxo-1-piperidin-1-ylpropan-2-yl)-5-propyltriazole-4-carboxylic acid is sourced from PubChem (CID 62054754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).