1-[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid

C12H19N5O3 — CID 80688595

IUPAC1-[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
SMILESCn1cnc(CCNC(=O)N2CCC(C(=O)O)CC2)n1
InChIInChI=1S/C12H19N5O3/c1-16-8-14-10(15-16)2-5-13-12(20)17-6-3-9(4-7-17)11(18)19/h8-9H,2-7H2,1H3,(H,13,20)(H,18,19)
InChIKeyLGEOSLKIHNQGAY-UHFFFAOYSA-N
MW281.32 g/mol
LogP-0.14
Rot. Bonds4

About 1-[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid

1-[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid (PubChem CID 80688595) has the molecular formula C12H19N5O3 and a molecular weight of 281.32 g/mol. Its IUPAC name is 1-[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
PubChem CID80688595
Molecular FormulaC12H19N5O3
Molecular Weight281.32 g/mol
Exact Mass281.15
IUPAC Name1-[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
SMILESCn1cnc(CCNC(=O)N2CCC(C(=O)O)CC2)n1
InChIInChI=1S/C12H19N5O3/c1-16-8-14-10(15-16)2-5-13-12(20)17-6-3-9(4-7-17)11(18)19/h8-9H,2-7H2,1H3,(H,13,20)(H,18,19)
InChIKeyLGEOSLKIHNQGAY-UHFFFAOYSA-N
XLogP-0.14
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]piperidine-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

N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-carboxamide
CID 115688654
2-[1-[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyrrolidin-3-yl]acetic acid
CID 80689165
3-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide
CID 115688762
1-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 106106000
(2S)-4-hydroxy-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 80689637
1-[2-(1H-imidazol-5-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 65231437
1-[2-(2-methoxy-3-pyridinyl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 122014852
1-(2-chloroethylcarbamoyl)piperidine-4-carboxylic acid
CID 16769941
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-3-oxobutanamide
CID 80682025
1-(2-propan-2-yloxyethylcarbamoyl)piperidine-4-carboxylic acid
CID 113450641
2-[2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]-2-oxoethyl]sulfanylacetic acid
CID 104570161
2-(azetidin-3-yl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 80683153

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid (CID 80688595) is 1-[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid is Cn1cnc(CCNC(=O)N2CCC(C(=O)O)CC2)n1.
What is the InChIKey of 1-[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid?
The InChIKey is LGEOSLKIHNQGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O3/c1-16-8-14-10(15-16)2-5-13-12(20)17-6-3-9(4-7-17)11(18)19/h8-9H,2-7H2,1H3,(H,13,20)(H,18,19).
What are the key properties of 1-[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid?
1-[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid has a molecular weight of 281.32 g/mol, XLogP of -0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 80688595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).