5-methyl-5-[3-(triazol-1-ylmethyl)piperidine-1-carbonyl]piperidin-2-one

C15H23N5O2 — CID 167786993

IUPAC5-methyl-5-[3-(triazol-1-ylmethyl)piperidine-1-carbonyl]piperidin-2-one
SMILESCC1(C(=O)N2CCCC(Cn3ccnn3)C2)CCC(=O)NC1
InChIInChI=1S/C15H23N5O2/c1-15(5-4-13(21)16-11-15)14(22)19-7-2-3-12(9-19)10-20-8-6-17-18-20/h6,8,12H,2-5,7,9-11H2,1H3,(H,16,21)
InChIKeyOYSUCIGVNLPUIN-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.43
Rot. Bonds3

About 5-methyl-5-[3-(triazol-1-ylmethyl)piperidine-1-carbonyl]piperidin-2-one

5-methyl-5-[3-(triazol-1-ylmethyl)piperidine-1-carbonyl]piperidin-2-one (PubChem CID 167786993) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 5-methyl-5-[3-(triazol-1-ylmethyl)piperidine-1-carbonyl]piperidin-2-one.

Molecular Properties

Compound Name5-methyl-5-[3-(triazol-1-ylmethyl)piperidine-1-carbonyl]piperidin-2-one
PubChem CID167786993
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name5-methyl-5-[3-(triazol-1-ylmethyl)piperidine-1-carbonyl]piperidin-2-one
SMILESCC1(C(=O)N2CCCC(Cn3ccnn3)C2)CCC(=O)NC1
InChIInChI=1S/C15H23N5O2/c1-15(5-4-13(21)16-11-15)14(22)19-7-2-3-12(9-19)10-20-8-6-17-18-20/h6,8,12H,2-5,7,9-11H2,1H3,(H,16,21)
InChIKeyOYSUCIGVNLPUIN-UHFFFAOYSA-N
XLogP0.43
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-1-[3-(triazol-1-ylmethyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 120873415
5-methyl-5-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]piperidin-2-one
CID 126830384
(3aS,7aS)-2-[(2R)-4-methyl-1-oxo-1-[(3S)-3-(triazol-1-ylmethyl)piperidin-1-yl]pentan-2-yl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 98794285
2-(2-bicyclo[2.2.1]heptanyl)-1-[3-(triazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 127643910
2-[ethyl-[3-[[3-(triazol-1-ylmethyl)piperidine-1-carbonyl]amino]cyclobutyl]amino]acetic acid
CID 122026126
N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(triazol-1-ylmethyl)piperidine-1-carboxamide
CID 138992521
1-[(3-methylpyrrolidin-3-yl)methyl]-3-(triazol-1-ylmethyl)piperidine;hydrochloride
CID 120901831
N-(2-bicyclo[2.2.2]oct-5-enylmethyl)-3-(triazol-1-ylmethyl)piperidine-1-carboxamide
CID 128868999
(3S)-N-(2-methyl-3-methylsulfanylphenyl)-3-(triazol-1-ylmethyl)piperidine-1-carboxamide
CID 125136403
1-[3-(aminomethyl)piperidin-1-yl]-2-(triazol-1-yl)ethanone
CID 81479505
4-bromo-2-methyl-5-[3-(triazol-1-ylmethyl)piperidin-1-yl]pyridazin-3-one
CID 127640043
[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-[3-(triazol-1-ylmethyl)piperidin-1-yl]methanone
CID 126768311

Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-[3-(triazol-1-ylmethyl)piperidine-1-carbonyl]piperidin-2-one?
The IUPAC name of 5-methyl-5-[3-(triazol-1-ylmethyl)piperidine-1-carbonyl]piperidin-2-one (CID 167786993) is 5-methyl-5-[3-(triazol-1-ylmethyl)piperidine-1-carbonyl]piperidin-2-one.
What is the SMILES notation for 5-methyl-5-[3-(triazol-1-ylmethyl)piperidine-1-carbonyl]piperidin-2-one?
The canonical SMILES for 5-methyl-5-[3-(triazol-1-ylmethyl)piperidine-1-carbonyl]piperidin-2-one is CC1(C(=O)N2CCCC(Cn3ccnn3)C2)CCC(=O)NC1.
What is the InChIKey of 5-methyl-5-[3-(triazol-1-ylmethyl)piperidine-1-carbonyl]piperidin-2-one?
The InChIKey is OYSUCIGVNLPUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-15(5-4-13(21)16-11-15)14(22)19-7-2-3-12(9-19)10-20-8-6-17-18-20/h6,8,12H,2-5,7,9-11H2,1H3,(H,16,21).
What are the key properties of 5-methyl-5-[3-(triazol-1-ylmethyl)piperidine-1-carbonyl]piperidin-2-one?
5-methyl-5-[3-(triazol-1-ylmethyl)piperidine-1-carbonyl]piperidin-2-one has a molecular weight of 305.38 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-[3-(triazol-1-ylmethyl)piperidine-1-carbonyl]piperidin-2-one is sourced from PubChem (CID 167786993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).