methyl 1-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonyl)piperidine-3-carboxylate

C15H18N4O3 — CID 112531599

IUPACmethyl 1-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonyl)piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(C(=O)c2ccn3c(C)nnc3c2)C1
InChIInChI=1S/C15H18N4O3/c1-10-16-17-13-8-11(5-7-19(10)13)14(20)18-6-3-4-12(9-18)15(21)22-2/h5,7-8,12H,3-4,6,9H2,1-2H3
InChIKeyLLSYGRBFDQKIQB-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.06
Rot. Bonds2

About methyl 1-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonyl)piperidine-3-carboxylate

methyl 1-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonyl)piperidine-3-carboxylate (PubChem CID 112531599) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is methyl 1-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonyl)piperidine-3-carboxylate
PubChem CID112531599
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Namemethyl 1-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonyl)piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(C(=O)c2ccn3c(C)nnc3c2)C1
InChIInChI=1S/C15H18N4O3/c1-10-16-17-13-8-11(5-7-19(10)13)14(20)18-6-3-4-12(9-18)15(21)22-2/h5,7-8,12H,3-4,6,9H2,1-2H3
InChIKeyLLSYGRBFDQKIQB-UHFFFAOYSA-N
XLogP1.06
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-(3,4-dimethylbenzoyl)piperidine-3-carboxylate
CID 56593212
methyl (3S)-1-(4-methylbenzoyl)piperidine-3-carboxylate
CID 78919310
methyl (3S)-1-(3-bromo-4-methylbenzoyl)piperidine-3-carboxylate
CID 79458802
methyl (3S)-1-(4-chloro-3-methylbenzoyl)piperidine-3-carboxylate
CID 103760234
methyl 1-(3-amino-4-methylbenzoyl)piperidine-3-carboxylate
CID 110488213
methyl 1-(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)piperidine-3-carboxylate
CID 108810625
methyl (3S)-1-(3,4-difluorobenzoyl)piperidine-3-carboxylate
CID 78919478
methyl 1-(3-hydroxybenzoyl)piperidine-3-carboxylate
CID 110465861
methyl 1-(3,4-difluorobenzoyl)piperidine-3-carboxylate
CID 78919125
methyl (3S)-1-(3-bromo-5-methylbenzoyl)piperidine-3-carboxylate
CID 104853374
methyl (3S)-1-(furan-3-carbonyl)piperidine-3-carboxylate
CID 78919632
(2,6-dimethylpiperidin-1-yl)-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)methanone
CID 84578205

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonyl)piperidine-3-carboxylate?
The IUPAC name of methyl 1-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonyl)piperidine-3-carboxylate (CID 112531599) is methyl 1-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for methyl 1-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonyl)piperidine-3-carboxylate is COC(=O)C1CCCN(C(=O)c2ccn3c(C)nnc3c2)C1.
What is the InChIKey of methyl 1-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonyl)piperidine-3-carboxylate?
The InChIKey is LLSYGRBFDQKIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-10-16-17-13-8-11(5-7-19(10)13)14(20)18-6-3-4-12(9-18)15(21)22-2/h5,7-8,12H,3-4,6,9H2,1-2H3.
What are the key properties of methyl 1-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonyl)piperidine-3-carboxylate?
methyl 1-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonyl)piperidine-3-carboxylate has a molecular weight of 302.33 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 112531599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).