1-[2-(diethylamino)ethyl]-5-piperidin-4-yltriazole-4-carboxylic acid

C14H25N5O2 — CID 103123333

IUPAC1-[2-(diethylamino)ethyl]-5-piperidin-4-yltriazole-4-carboxylic acid
SMILESCCN(CC)CCn1nnc(C(=O)O)c1C1CCNCC1
InChIInChI=1S/C14H25N5O2/c1-3-18(4-2)9-10-19-13(11-5-7-15-8-6-11)12(14(20)21)16-17-19/h11,15H,3-10H2,1-2H3,(H,20,21)
InChIKeyDCDRRNCXIFWYIU-UHFFFAOYSA-N
MW295.39 g/mol
LogP0.79
Rot. Bonds7

About 1-[2-(diethylamino)ethyl]-5-piperidin-4-yltriazole-4-carboxylic acid

1-[2-(diethylamino)ethyl]-5-piperidin-4-yltriazole-4-carboxylic acid (PubChem CID 103123333) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethyl]-5-piperidin-4-yltriazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(diethylamino)ethyl]-5-piperidin-4-yltriazole-4-carboxylic acid
PubChem CID103123333
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Name1-[2-(diethylamino)ethyl]-5-piperidin-4-yltriazole-4-carboxylic acid
SMILESCCN(CC)CCn1nnc(C(=O)O)c1C1CCNCC1
InChIInChI=1S/C14H25N5O2/c1-3-18(4-2)9-10-19-13(11-5-7-15-8-6-11)12(14(20)21)16-17-19/h11,15H,3-10H2,1-2H3,(H,20,21)
InChIKeyDCDRRNCXIFWYIU-UHFFFAOYSA-N
XLogP0.79
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[2-(diethylamino)ethyl]-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

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)ethyl]-5-piperidin-4-yltriazole-4-carboxylic acid?
The IUPAC name of 1-[2-(diethylamino)ethyl]-5-piperidin-4-yltriazole-4-carboxylic acid (CID 103123333) is 1-[2-(diethylamino)ethyl]-5-piperidin-4-yltriazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-(diethylamino)ethyl]-5-piperidin-4-yltriazole-4-carboxylic acid?
The canonical SMILES for 1-[2-(diethylamino)ethyl]-5-piperidin-4-yltriazole-4-carboxylic acid is CCN(CC)CCn1nnc(C(=O)O)c1C1CCNCC1.
What is the InChIKey of 1-[2-(diethylamino)ethyl]-5-piperidin-4-yltriazole-4-carboxylic acid?
The InChIKey is DCDRRNCXIFWYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-3-18(4-2)9-10-19-13(11-5-7-15-8-6-11)12(14(20)21)16-17-19/h11,15H,3-10H2,1-2H3,(H,20,21).
What are the key properties of 1-[2-(diethylamino)ethyl]-5-piperidin-4-yltriazole-4-carboxylic acid?
1-[2-(diethylamino)ethyl]-5-piperidin-4-yltriazole-4-carboxylic acid has a molecular weight of 295.39 g/mol, XLogP of 0.79, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)ethyl]-5-piperidin-4-yltriazole-4-carboxylic acid is sourced from PubChem (CID 103123333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).