1-cyclopentyl-5-piperidin-4-yltriazole-4-carboxylic acid

C13H20N4O2 — CID 103123557

IUPAC1-cyclopentyl-5-piperidin-4-yltriazole-4-carboxylic acid
SMILESO=C(O)c1nnn(C2CCCC2)c1C1CCNCC1
InChIInChI=1S/C13H20N4O2/c18-13(19)11-12(9-5-7-14-8-6-9)17(16-15-11)10-3-1-2-4-10/h9-10,14H,1-8H2,(H,18,19)
InChIKeyKCVGWATUGBKMJS-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.56
Rot. Bonds3

About 1-cyclopentyl-5-piperidin-4-yltriazole-4-carboxylic acid

1-cyclopentyl-5-piperidin-4-yltriazole-4-carboxylic acid (PubChem CID 103123557) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-cyclopentyl-5-piperidin-4-yltriazole-4-carboxylic acid.

Molecular Properties

Compound Name1-cyclopentyl-5-piperidin-4-yltriazole-4-carboxylic acid
PubChem CID103123557
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name1-cyclopentyl-5-piperidin-4-yltriazole-4-carboxylic acid
SMILESO=C(O)c1nnn(C2CCCC2)c1C1CCNCC1
InChIInChI=1S/C13H20N4O2/c18-13(19)11-12(9-5-7-14-8-6-9)17(16-15-11)10-3-1-2-4-10/h9-10,14H,1-8H2,(H,18,19)
InChIKeyKCVGWATUGBKMJS-UHFFFAOYSA-N
XLogP1.56
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-cyclopentyl-5-piperidin-4-yltriazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,5-dicyclopropyltriazole-4-carboxylic acid
CID 105446875
5-cyclopropyl-1-(oxan-4-yl)triazole-4-carboxylic acid
CID 63937127
methyl 1-(oxan-4-yl)-5-piperidin-4-yltriazole-4-carboxylate
CID 103124278
1-(3-hydroxybutyl)-5-piperidin-4-yltriazole-4-carboxylic acid
CID 103123511
1-(4-methoxybutyl)-5-piperidin-4-yltriazole-4-carboxylic acid
CID 103123203
1-[2-(diethylamino)ethyl]-5-piperidin-4-yltriazole-4-carboxylic acid
CID 103123333
1-cyclopentyl-5-propan-2-yltriazole-4-carboxylic acid
CID 62054360
1-cyclopentyl-5-(difluoromethyl)triazole-4-carboxylic acid
CID 102644673
1-[(5-bromothiophen-3-yl)methyl]-5-piperidin-4-yltriazole-4-carboxylic acid
CID 103123529
5-cyclopropyl-1-ethyltriazole-4-carboxylic acid
CID 62055602
[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone
CID 124697610
5-cyclopentyl-1-(2-hydroxypropyl)triazole-4-carboxylic acid
CID 165475519

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-5-piperidin-4-yltriazole-4-carboxylic acid?
The IUPAC name of 1-cyclopentyl-5-piperidin-4-yltriazole-4-carboxylic acid (CID 103123557) is 1-cyclopentyl-5-piperidin-4-yltriazole-4-carboxylic acid.
What is the SMILES notation for 1-cyclopentyl-5-piperidin-4-yltriazole-4-carboxylic acid?
The canonical SMILES for 1-cyclopentyl-5-piperidin-4-yltriazole-4-carboxylic acid is O=C(O)c1nnn(C2CCCC2)c1C1CCNCC1.
What is the InChIKey of 1-cyclopentyl-5-piperidin-4-yltriazole-4-carboxylic acid?
The InChIKey is KCVGWATUGBKMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c18-13(19)11-12(9-5-7-14-8-6-9)17(16-15-11)10-3-1-2-4-10/h9-10,14H,1-8H2,(H,18,19).
What are the key properties of 1-cyclopentyl-5-piperidin-4-yltriazole-4-carboxylic acid?
1-cyclopentyl-5-piperidin-4-yltriazole-4-carboxylic acid has a molecular weight of 264.33 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-5-piperidin-4-yltriazole-4-carboxylic acid is sourced from PubChem (CID 103123557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).