N-(3-ethoxypropyl)-1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide

C18H27N5O2 — CID 53203084

IUPACN-(3-ethoxypropyl)-1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide
SMILESCCOCCCNC(=O)C1CCN(c2nnc3cccc(C)n23)CC1
InChIInChI=1S/C18H27N5O2/c1-3-25-13-5-10-19-17(24)15-8-11-22(12-9-15)18-21-20-16-7-4-6-14(2)23(16)18/h4,6-7,15H,3,5,8-13H2,1-2H3,(H,19,24)
InChIKeyQRYCVAIPZMFJES-UHFFFAOYSA-N
MW345.45 g/mol
LogP1.80
Rot. Bonds7

About N-(3-ethoxypropyl)-1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide

N-(3-ethoxypropyl)-1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide (PubChem CID 53203084) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide
PubChem CID53203084
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC NameN-(3-ethoxypropyl)-1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide
SMILESCCOCCCNC(=O)C1CCN(c2nnc3cccc(C)n23)CC1
InChIInChI=1S/C18H27N5O2/c1-3-25-13-5-10-19-17(24)15-8-11-22(12-9-15)18-21-20-16-7-4-6-14(2)23(16)18/h4,6-7,15H,3,5,8-13H2,1-2H3,(H,19,24)
InChIKeyQRYCVAIPZMFJES-UHFFFAOYSA-N
XLogP1.80
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-propylpiperidine-3-carboxamide
CID 53202961
1-N-(2,6-dimethylphenyl)-4-N-(3-ethoxypropyl)piperidine-1,4-dicarboxamide
CID 86987351
N-propyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide
CID 53203022
1-[(3-ethoxyphenyl)methyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 43923975
1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 20883058
N-(3-ethoxypropyl)-1-[6-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53062132
N-(3-ethoxypropyl)-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-4-carboxamide
CID 30444209
N-(3-ethoxypropyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 51691180
N-(3-ethoxypropyl)-1-[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidine-4-carboxamide
CID 20943213
1-(5-cyano-2-pyridinyl)-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 51314226
N-(3-ethoxypropyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide
CID 20892966
4-N-(3-ethoxypropyl)-1-N-(4-methylphenyl)piperidine-1,4-dicarboxamide
CID 651583

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide (CID 53203084) is N-(3-ethoxypropyl)-1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide is CCOCCCNC(=O)C1CCN(c2nnc3cccc(C)n23)CC1.
What is the InChIKey of N-(3-ethoxypropyl)-1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide?
The InChIKey is QRYCVAIPZMFJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-3-25-13-5-10-19-17(24)15-8-11-22(12-9-15)18-21-20-16-7-4-6-14(2)23(16)18/h4,6-7,15H,3,5,8-13H2,1-2H3,(H,19,24).
What are the key properties of N-(3-ethoxypropyl)-1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide?
N-(3-ethoxypropyl)-1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53203084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).