1-[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]piperidine-4-carboxamide

C10H14N6O4 — CID 5303534

IUPAC1-[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1
InChIInChI=1S/C10H14N6O4/c11-9(18)7-1-3-14(4-2-7)8(17)5-15-6-12-10(13-15)16(19)20/h6-7H,1-5H2,(H2,11,18)
InChIKeyDEOQNPHMOHHNBO-UHFFFAOYSA-N
MW282.26 g/mol
LogP-1.09
Rot. Bonds4

About 1-[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]piperidine-4-carboxamide

1-[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]piperidine-4-carboxamide (PubChem CID 5303534) has the molecular formula C10H14N6O4 and a molecular weight of 282.26 g/mol. Its IUPAC name is 1-[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]piperidine-4-carboxamide
PubChem CID5303534
Molecular FormulaC10H14N6O4
Molecular Weight282.26 g/mol
Exact Mass282.11
IUPAC Name1-[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1
InChIInChI=1S/C10H14N6O4/c11-9(18)7-1-3-14(4-2-7)8(17)5-15-6-12-10(13-15)16(19)20/h6-7H,1-5H2,(H2,11,18)
InChIKeyDEOQNPHMOHHNBO-UHFFFAOYSA-N
XLogP-1.09
TPSA137.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 5-1.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone
CID 167799876
1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]piperidine-4-carboxamide
CID 115458891
1-(2,5-dimethylmorpholin-4-yl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone
CID 47414917
ethyl 4-(3-nitro-1,2,4-triazol-1-yl)-3-oxobutanoate
CID 60974661
1-[2-(5-fluoro-2-nitrophenoxy)acetyl]piperidine-4-carboxamide
CID 8873562
N-[(1R,2S)-2-methylcyclohexyl]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
CID 94170939
1-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetyl]piperidine-4-carboxamide
CID 30090161
1-[3-(3-nitrophenyl)propanoyl]piperidine-4-carboxamide
CID 119159266
2-(3-amino-1,2,4-triazol-1-yl)-1-(4,4-dimethylpiperidin-1-yl)ethanone
CID 62935640
1-(8-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone
CID 87019891
1-[N'-(3-nitro-2-pyridinyl)carbamimidoyl]piperidine-4-carboxamide
CID 100575509
1-[2-(5,5-dioxophenothiazin-10-yl)acetyl]piperidine-4-carboxamide
CID 53299026

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]piperidine-4-carboxamide (CID 5303534) is 1-[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1.
What is the InChIKey of 1-[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]piperidine-4-carboxamide?
The InChIKey is DEOQNPHMOHHNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O4/c11-9(18)7-1-3-14(4-2-7)8(17)5-15-6-12-10(13-15)16(19)20/h6-7H,1-5H2,(H2,11,18).
What are the key properties of 1-[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]piperidine-4-carboxamide?
1-[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]piperidine-4-carboxamide has a molecular weight of 282.26 g/mol, XLogP of -1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 5303534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).