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

C11H17N5O3 — CID 64525703

IUPAC2-[1-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1C(=O)NCc1ncn[nH]1
InChIInChI=1S/C11H17N5O3/c17-10(18)5-8-3-1-2-4-16(8)11(19)12-6-9-13-7-14-15-9/h7-8H,1-6H2,(H,12,19)(H,17,18)(H,13,14,15)
InChIKeyWEBDYBSCDHSPIT-UHFFFAOYSA-N
MW267.29 g/mol
LogP0.34
Rot. Bonds4

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

2-[1-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)piperidin-2-yl]acetic acid (PubChem CID 64525703) has the molecular formula C11H17N5O3 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-[1-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)piperidin-2-yl]acetic acid
PubChem CID64525703
Molecular FormulaC11H17N5O3
Molecular Weight267.29 g/mol
Exact Mass267.13
IUPAC Name2-[1-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1C(=O)NCc1ncn[nH]1
InChIInChI=1S/C11H17N5O3/c17-10(18)5-8-3-1-2-4-16(8)11(19)12-6-9-13-7-14-15-9/h7-8H,1-6H2,(H,12,19)(H,17,18)(H,13,14,15)
InChIKeyWEBDYBSCDHSPIT-UHFFFAOYSA-N
XLogP0.34
TPSA111.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[1-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)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-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoyl]piperidin-2-yl]acetic acid
CID 64532182
N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-1-carboxamide
CID 78973043
2-[1-(pyridin-4-ylmethylcarbamoyl)piperidin-2-yl]acetic acid
CID 61196830
N-(1H-1,2,4-triazol-5-ylmethyl)cycloheptanecarboxamide
CID 62590368
1-(cyclopropanecarbonyl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide
CID 54885097
1-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoyl]azepane-2-carboxylic acid
CID 64561967
2-[1-(cyclobutylmethylcarbamoyl)piperidin-2-yl]acetic acid
CID 61197423
2-[1-[(4-ethylphenyl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 106900464
(2R)-N-benzyl-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
CID 97346259
2-[1-[(3-methyl-2-pyridinyl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 63309541
2-[1-(2-methylprop-2-enylcarbamoyl)piperidin-2-yl]acetic acid
CID 114618094
2-[1-(butylcarbamoyl)piperidin-2-yl]acetic acid
CID 61010692

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)piperidin-2-yl]acetic acid (CID 64525703) is 2-[1-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)piperidin-2-yl]acetic acid is O=C(O)CC1CCCCN1C(=O)NCc1ncn[nH]1.
What is the InChIKey of 2-[1-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)piperidin-2-yl]acetic acid?
The InChIKey is WEBDYBSCDHSPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3/c17-10(18)5-8-3-1-2-4-16(8)11(19)12-6-9-13-7-14-15-9/h7-8H,1-6H2,(H,12,19)(H,17,18)(H,13,14,15).
What are the key properties of 2-[1-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)piperidin-2-yl]acetic acid?
2-[1-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)piperidin-2-yl]acetic acid has a molecular weight of 267.29 g/mol, XLogP of 0.34, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)piperidin-2-yl]acetic acid is sourced from PubChem (CID 64525703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).