N-ethyl-1-(2H-triazole-4-carbonyl)piperidine-4-carboxamide

C11H17N5O2 — CID 112733334

IUPACN-ethyl-1-(2H-triazole-4-carbonyl)piperidine-4-carboxamide
SMILESCCNC(=O)C1CCN(C(=O)c2cn[nH]n2)CC1
InChIInChI=1S/C11H17N5O2/c1-2-12-10(17)8-3-5-16(6-4-8)11(18)9-7-13-15-14-9/h7-8H,2-6H2,1H3,(H,12,17)(H,13,14,15)
InChIKeyCSUUQJWFNJPJEW-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.21
Rot. Bonds3

About N-ethyl-1-(2H-triazole-4-carbonyl)piperidine-4-carboxamide

N-ethyl-1-(2H-triazole-4-carbonyl)piperidine-4-carboxamide (PubChem CID 112733334) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-ethyl-1-(2H-triazole-4-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(2H-triazole-4-carbonyl)piperidine-4-carboxamide
PubChem CID112733334
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC NameN-ethyl-1-(2H-triazole-4-carbonyl)piperidine-4-carboxamide
SMILESCCNC(=O)C1CCN(C(=O)c2cn[nH]n2)CC1
InChIInChI=1S/C11H17N5O2/c1-2-12-10(17)8-3-5-16(6-4-8)11(18)9-7-13-15-14-9/h7-8H,2-6H2,1H3,(H,12,17)(H,13,14,15)
InChIKeyCSUUQJWFNJPJEW-UHFFFAOYSA-N
XLogP-0.21
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-ethyl-1-(2H-triazole-4-carbonyl)piperidine-4-carboxamide 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

1-(2H-triazole-4-carbonyl)piperidine-4-carboxamide
CID 110475443
azocan-1-yl(2H-triazol-4-yl)methanone
CID 47335062
(4-bromopiperidin-1-yl)-(2H-triazol-4-yl)methanone
CID 80662677
(4-piperidin-1-ylpiperidin-1-yl)-(2H-triazol-4-yl)methanone
CID 78968357
(3-propan-2-ylpyrrolidin-1-yl)-(2H-triazol-4-yl)methanone
CID 115686992
1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-N-ethylpiperidine-4-carboxamide
CID 62794182
[3-(1-aminoethyl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone
CID 103975879
[4-(2-ethoxyethoxy)piperidin-1-yl]-(2H-triazol-4-yl)methanone
CID 112733485
[(3R)-3-aminopyrrolidin-1-yl]-(2H-triazol-4-yl)methanone
CID 115301640
(3-methoxypyrrolidin-1-yl)-(2H-triazol-4-yl)methanone
CID 103536935
1-(4-aminobenzoyl)-N-ethylpiperidine-4-carboxamide
CID 60963126
(4,4-dimethylazepan-1-yl)-(2H-triazol-4-yl)methanone
CID 79005614

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2H-triazole-4-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-ethyl-1-(2H-triazole-4-carbonyl)piperidine-4-carboxamide (CID 112733334) is N-ethyl-1-(2H-triazole-4-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-ethyl-1-(2H-triazole-4-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-ethyl-1-(2H-triazole-4-carbonyl)piperidine-4-carboxamide is CCNC(=O)C1CCN(C(=O)c2cn[nH]n2)CC1.
What is the InChIKey of N-ethyl-1-(2H-triazole-4-carbonyl)piperidine-4-carboxamide?
The InChIKey is CSUUQJWFNJPJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-2-12-10(17)8-3-5-16(6-4-8)11(18)9-7-13-15-14-9/h7-8H,2-6H2,1H3,(H,12,17)(H,13,14,15).
What are the key properties of N-ethyl-1-(2H-triazole-4-carbonyl)piperidine-4-carboxamide?
N-ethyl-1-(2H-triazole-4-carbonyl)piperidine-4-carboxamide has a molecular weight of 251.29 g/mol, XLogP of -0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2H-triazole-4-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 112733334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).