2-[1-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoyl]piperidin-2-yl]acetic acid

C13H21N5O3 — CID 64532182

IUPAC2-[1-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoyl]piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1C(=O)NCCCc1ncn[nH]1
InChIInChI=1S/C13H21N5O3/c19-12(20)8-10-4-1-2-7-18(10)13(21)14-6-3-5-11-15-9-16-17-11/h9-10H,1-8H2,(H,14,21)(H,19,20)(H,15,16,17)
InChIKeyBTKMIVHGPANACZ-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.78
Rot. Bonds6

About 2-[1-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoyl]piperidin-2-yl]acetic acid

2-[1-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoyl]piperidin-2-yl]acetic acid (PubChem CID 64532182) has the molecular formula C13H21N5O3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[1-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoyl]piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoyl]piperidin-2-yl]acetic acid
PubChem CID64532182
Molecular FormulaC13H21N5O3
Molecular Weight295.34 g/mol
Exact Mass295.16
IUPAC Name2-[1-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoyl]piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1C(=O)NCCCc1ncn[nH]1
InChIInChI=1S/C13H21N5O3/c19-12(20)8-10-4-1-2-7-18(10)13(21)14-6-3-5-11-15-9-16-17-11/h9-10H,1-8H2,(H,14,21)(H,19,20)(H,15,16,17)
InChIKeyBTKMIVHGPANACZ-UHFFFAOYSA-N
XLogP0.78
TPSA111.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[1-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoyl]piperidin-2-yl]acetic 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

2-[1-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)piperidin-2-yl]acetic acid
CID 64525703
1-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoyl]azepane-2-carboxylic acid
CID 64561967
2-[1-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoyl]piperidin-4-yl]acetic acid
CID 79609464
1-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 64532171
2-[1-(butylcarbamoyl)piperidin-2-yl]acetic acid
CID 61010692
2-[1-(3-cyclopentylpropylcarbamoyl)piperidin-2-yl]acetic acid
CID 106005378
4-hydroxy-1-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 64532357
5-oxo-1-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoyl]piperazine-2-carboxylic acid
CID 107438867
2-[1-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]azetidin-3-yl]acetic acid
CID 64618296
2-[1-[3-(methylamino)propylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 61404883
2-[1-(2-cyclohexylethylcarbamoyl)piperidin-2-yl]acetic acid
CID 61206283
cis-(1R,3S)-3-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 106319787

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoyl]piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoyl]piperidin-2-yl]acetic acid (CID 64532182) is 2-[1-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoyl]piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoyl]piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoyl]piperidin-2-yl]acetic acid is O=C(O)CC1CCCCN1C(=O)NCCCc1ncn[nH]1.
What is the InChIKey of 2-[1-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoyl]piperidin-2-yl]acetic acid?
The InChIKey is BTKMIVHGPANACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O3/c19-12(20)8-10-4-1-2-7-18(10)13(21)14-6-3-5-11-15-9-16-17-11/h9-10H,1-8H2,(H,14,21)(H,19,20)(H,15,16,17).
What are the key properties of 2-[1-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoyl]piperidin-2-yl]acetic acid?
2-[1-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoyl]piperidin-2-yl]acetic acid has a molecular weight of 295.34 g/mol, XLogP of 0.78, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoyl]piperidin-2-yl]acetic acid is sourced from PubChem (CID 64532182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).