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

C10H17N5O — CID 50965515

IUPAC1-[2-(1,2,4-triazol-4-yl)ethyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(CCn2cnnc2)C1
InChIInChI=1S/C10H17N5O/c11-10(16)9-2-1-3-14(6-9)4-5-15-7-12-13-8-15/h7-9H,1-6H2,(H2,11,16)
InChIKeyNBGPZVHFHJJCGM-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.52
Rot. Bonds4

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

1-[2-(1,2,4-triazol-4-yl)ethyl]piperidine-3-carboxamide (PubChem CID 50965515) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-[2-(1,2,4-triazol-4-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(1,2,4-triazol-4-yl)ethyl]piperidine-3-carboxamide
PubChem CID50965515
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name1-[2-(1,2,4-triazol-4-yl)ethyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(CCn2cnnc2)C1
InChIInChI=1S/C10H17N5O/c11-10(16)9-2-1-3-14(6-9)4-5-15-7-12-13-8-15/h7-9H,1-6H2,(H2,11,16)
InChIKeyNBGPZVHFHJJCGM-UHFFFAOYSA-N
XLogP-0.52
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,2,4-triazol-4-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-(1,2,4-triazol-4-yl)ethyl]piperidine-3-carboxamide (CID 50965515) is 1-[2-(1,2,4-triazol-4-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(1,2,4-triazol-4-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-(1,2,4-triazol-4-yl)ethyl]piperidine-3-carboxamide is NC(=O)C1CCCN(CCn2cnnc2)C1.
What is the InChIKey of 1-[2-(1,2,4-triazol-4-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is NBGPZVHFHJJCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c11-10(16)9-2-1-3-14(6-9)4-5-15-7-12-13-8-15/h7-9H,1-6H2,(H2,11,16).
What are the key properties of 1-[2-(1,2,4-triazol-4-yl)ethyl]piperidine-3-carboxamide?
1-[2-(1,2,4-triazol-4-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 223.28 g/mol, XLogP of -0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,2,4-triazol-4-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 50965515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).