3-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)piperidine-1,3-dicarboxamide

C11H18N6O3 — CID 104817596

IUPAC3-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)piperidine-1,3-dicarboxamide
SMILESCCOc1n[nH]c(NC(=O)C2CCCN(C(N)=O)C2)n1
InChIInChI=1S/C11H18N6O3/c1-2-20-11-14-10(15-16-11)13-8(18)7-4-3-5-17(6-7)9(12)19/h7H,2-6H2,1H3,(H2,12,19)(H2,13,14,15,16,18)
InChIKeyLPIUTLNQJMFHAD-UHFFFAOYSA-N
MW282.30 g/mol
LogP-0.07
Rot. Bonds4

About 3-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)piperidine-1,3-dicarboxamide

3-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)piperidine-1,3-dicarboxamide (PubChem CID 104817596) has the molecular formula C11H18N6O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 3-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)piperidine-1,3-dicarboxamide
PubChem CID104817596
Molecular FormulaC11H18N6O3
Molecular Weight282.30 g/mol
Exact Mass282.14
IUPAC Name3-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)piperidine-1,3-dicarboxamide
SMILESCCOc1n[nH]c(NC(=O)C2CCCN(C(N)=O)C2)n1
InChIInChI=1S/C11H18N6O3/c1-2-20-11-14-10(15-16-11)13-8(18)7-4-3-5-17(6-7)9(12)19/h7H,2-6H2,1H3,(H2,12,19)(H2,13,14,15,16,18)
InChIKeyLPIUTLNQJMFHAD-UHFFFAOYSA-N
XLogP-0.07
TPSA126.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)piperidine-1,3-dicarboxamide 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-(3-ethoxy-1H-1,2,4-triazol-5-yl)cyclopropanecarboxamide
CID 104817634
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-3-methylpiperidine-1-carboxamide
CID 113456556
3-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1,3-dicarboxamide
CID 78927822
(2R,5S)-5-[(3-ethoxy-1H-1,2,4-triazol-5-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102945672
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1,1-dioxothiolane-3-carboxamide
CID 113456463
3-N-(4,5-dimethyl-1H-pyrazol-3-yl)piperidine-1,3-dicarboxamide
CID 112689240
3-[(1-carbamoylpiperidine-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64526678
(3S)-3-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]piperidine-1-carboxamide
CID 9084642
ethyl 2-[(1-carbamoylpiperidine-3-carbonyl)amino]propanoate
CID 61344950
2-[(1-carbamoylpiperidine-3-carbonyl)amino]oxyacetic acid
CID 63914917
(3S)-3-N-pyridin-2-ylpiperidine-1,3-dicarboxamide
CID 51927409
(3S)-3-N-[6-(2-methoxyethoxy)-3-pyridinyl]piperidine-1,3-dicarboxamide
CID 95158166

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)piperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)piperidine-1,3-dicarboxamide (CID 104817596) is 3-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)piperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)piperidine-1,3-dicarboxamide is CCOc1n[nH]c(NC(=O)C2CCCN(C(N)=O)C2)n1.
What is the InChIKey of 3-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)piperidine-1,3-dicarboxamide?
The InChIKey is LPIUTLNQJMFHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O3/c1-2-20-11-14-10(15-16-11)13-8(18)7-4-3-5-17(6-7)9(12)19/h7H,2-6H2,1H3,(H2,12,19)(H2,13,14,15,16,18).
What are the key properties of 3-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)piperidine-1,3-dicarboxamide?
3-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)piperidine-1,3-dicarboxamide has a molecular weight of 282.30 g/mol, XLogP of -0.07, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 104817596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).