5-(1-cyclopentyloxycarbonylpiperidin-4-yl)-1-methyltriazole-4-carboxylic acid

C15H22N4O4 — CID 138005754

IUPAC5-(1-cyclopentyloxycarbonylpiperidin-4-yl)-1-methyltriazole-4-carboxylic acid
SMILESCn1nnc(C(=O)O)c1C1CCN(C(=O)OC2CCCC2)CC1
InChIInChI=1S/C15H22N4O4/c1-18-13(12(14(20)21)16-17-18)10-6-8-19(9-7-10)15(22)23-11-4-2-3-5-11/h10-11H,2-9H2,1H3,(H,20,21)
InChIKeyTVDBFTBEKNYYTC-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.77
Rot. Bonds3

About 5-(1-cyclopentyloxycarbonylpiperidin-4-yl)-1-methyltriazole-4-carboxylic acid

5-(1-cyclopentyloxycarbonylpiperidin-4-yl)-1-methyltriazole-4-carboxylic acid (PubChem CID 138005754) has the molecular formula C15H22N4O4 and a molecular weight of 322.37 g/mol. Its IUPAC name is 5-(1-cyclopentyloxycarbonylpiperidin-4-yl)-1-methyltriazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(1-cyclopentyloxycarbonylpiperidin-4-yl)-1-methyltriazole-4-carboxylic acid
PubChem CID138005754
Molecular FormulaC15H22N4O4
Molecular Weight322.37 g/mol
Exact Mass322.16
IUPAC Name5-(1-cyclopentyloxycarbonylpiperidin-4-yl)-1-methyltriazole-4-carboxylic acid
SMILESCn1nnc(C(=O)O)c1C1CCN(C(=O)OC2CCCC2)CC1
InChIInChI=1S/C15H22N4O4/c1-18-13(12(14(20)21)16-17-18)10-6-8-19(9-7-10)15(22)23-11-4-2-3-5-11/h10-11H,2-9H2,1H3,(H,20,21)
InChIKeyTVDBFTBEKNYYTC-UHFFFAOYSA-N
XLogP1.77
TPSA97.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

cyclobutyl 4-methylpiperazine-1-carboxylate
CID 131024600
1,5-dicyclopropyltriazole-4-carboxylic acid
CID 105446875
1-cyclopentyloxycarbonyl-3-hydroxypiperidine-3-carboxylic acid
CID 167914251
1-cyclopentyl-5-piperidin-4-yltriazole-4-carboxylic acid
CID 103123557
5-cyclopropyl-1-ethyltriazole-4-carboxylic acid
CID 62055602
5-cyclopentyl-1-(2-hydroxypropyl)triazole-4-carboxylic acid
CID 165475519
cyclopentyl 4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]piperidine-1-carboxylate
CID 122268759
1-(1-carboxyethyl)-5-cyclobutyltriazole-4-carboxylic acid
CID 82202471
5-cyclopropyl-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)triazole-4-carboxylic acid
CID 62055276
5-cyclopropyl-1-[3-(ethylamino)-3-oxopropyl]triazole-4-carboxylic acid
CID 62326659
5-cyclobutyl-1-[2-(cyclopentylamino)-2-oxoethyl]triazole-4-carboxylic acid
CID 82202469
5-cyclopentyl-1-(2-phenylmethoxyethyl)triazole-4-carboxylic acid
CID 165486533

Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclopentyloxycarbonylpiperidin-4-yl)-1-methyltriazole-4-carboxylic acid?
The IUPAC name of 5-(1-cyclopentyloxycarbonylpiperidin-4-yl)-1-methyltriazole-4-carboxylic acid (CID 138005754) is 5-(1-cyclopentyloxycarbonylpiperidin-4-yl)-1-methyltriazole-4-carboxylic acid.
What is the SMILES notation for 5-(1-cyclopentyloxycarbonylpiperidin-4-yl)-1-methyltriazole-4-carboxylic acid?
The canonical SMILES for 5-(1-cyclopentyloxycarbonylpiperidin-4-yl)-1-methyltriazole-4-carboxylic acid is Cn1nnc(C(=O)O)c1C1CCN(C(=O)OC2CCCC2)CC1.
What is the InChIKey of 5-(1-cyclopentyloxycarbonylpiperidin-4-yl)-1-methyltriazole-4-carboxylic acid?
The InChIKey is TVDBFTBEKNYYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O4/c1-18-13(12(14(20)21)16-17-18)10-6-8-19(9-7-10)15(22)23-11-4-2-3-5-11/h10-11H,2-9H2,1H3,(H,20,21).
What are the key properties of 5-(1-cyclopentyloxycarbonylpiperidin-4-yl)-1-methyltriazole-4-carboxylic acid?
5-(1-cyclopentyloxycarbonylpiperidin-4-yl)-1-methyltriazole-4-carboxylic acid has a molecular weight of 322.37 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclopentyloxycarbonylpiperidin-4-yl)-1-methyltriazole-4-carboxylic acid is sourced from PubChem (CID 138005754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).