3-N-ethyl-1-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]piperidine-1,3-dicarboxamide

C18H30N6O3 — CID 48958130

IUPAC3-N-ethyl-1-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]piperidine-1,3-dicarboxamide
SMILESCCNC(=O)C1CCCN(C(=O)NCCCn2nc3n(c2=O)CCCC3)C1
InChIInChI=1S/C18H30N6O3/c1-2-19-16(25)14-7-5-10-22(13-14)17(26)20-9-6-12-24-18(27)23-11-4-3-8-15(23)21-24/h14H,2-13H2,1H3,(H,19,25)(H,20,26)
InChIKeyYUHUOWMMLMZPKS-UHFFFAOYSA-N
MW378.48 g/mol
LogP0.33
Rot. Bonds6

About 3-N-ethyl-1-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]piperidine-1,3-dicarboxamide

3-N-ethyl-1-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]piperidine-1,3-dicarboxamide (PubChem CID 48958130) has the molecular formula C18H30N6O3 and a molecular weight of 378.48 g/mol. Its IUPAC name is 3-N-ethyl-1-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-ethyl-1-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]piperidine-1,3-dicarboxamide
PubChem CID48958130
Molecular FormulaC18H30N6O3
Molecular Weight378.48 g/mol
Exact Mass378.24
IUPAC Name3-N-ethyl-1-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]piperidine-1,3-dicarboxamide
SMILESCCNC(=O)C1CCCN(C(=O)NCCCn2nc3n(c2=O)CCCC3)C1
InChIInChI=1S/C18H30N6O3/c1-2-19-16(25)14-7-5-10-22(13-14)17(26)20-9-6-12-24-18(27)23-11-4-3-8-15(23)21-24/h14H,2-13H2,1H3,(H,19,25)(H,20,26)
InChIKeyYUHUOWMMLMZPKS-UHFFFAOYSA-N
XLogP0.33
TPSA101.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-N-ethyl-1-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]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

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-1-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]piperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-ethyl-1-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]piperidine-1,3-dicarboxamide (CID 48958130) is 3-N-ethyl-1-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-ethyl-1-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-ethyl-1-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]piperidine-1,3-dicarboxamide is CCNC(=O)C1CCCN(C(=O)NCCCn2nc3n(c2=O)CCCC3)C1.
What is the InChIKey of 3-N-ethyl-1-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]piperidine-1,3-dicarboxamide?
The InChIKey is YUHUOWMMLMZPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6O3/c1-2-19-16(25)14-7-5-10-22(13-14)17(26)20-9-6-12-24-18(27)23-11-4-3-8-15(23)21-24/h14H,2-13H2,1H3,(H,19,25)(H,20,26).
What are the key properties of 3-N-ethyl-1-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]piperidine-1,3-dicarboxamide?
3-N-ethyl-1-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]piperidine-1,3-dicarboxamide has a molecular weight of 378.48 g/mol, XLogP of 0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-1-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 48958130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).