1-[4-(3-methyl-1,2,4-triazol-4-yl)piperidin-1-yl]ethanone

C10H16N4O — CID 141199102

IUPAC1-[4-(3-methyl-1,2,4-triazol-4-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(n2cnnc2C)CC1
InChIInChI=1S/C10H16N4O/c1-8-12-11-7-14(8)10-3-5-13(6-4-10)9(2)15/h7,10H,3-6H2,1-2H3
InChIKeyUMVRLUKPKCQVOG-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.77
Rot. Bonds1

About 1-[4-(3-methyl-1,2,4-triazol-4-yl)piperidin-1-yl]ethanone

1-[4-(3-methyl-1,2,4-triazol-4-yl)piperidin-1-yl]ethanone (PubChem CID 141199102) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-[4-(3-methyl-1,2,4-triazol-4-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(3-methyl-1,2,4-triazol-4-yl)piperidin-1-yl]ethanone
PubChem CID141199102
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name1-[4-(3-methyl-1,2,4-triazol-4-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(n2cnnc2C)CC1
InChIInChI=1S/C10H16N4O/c1-8-12-11-7-14(8)10-3-5-13(6-4-10)9(2)15/h7,10H,3-6H2,1-2H3
InChIKeyUMVRLUKPKCQVOG-UHFFFAOYSA-N
XLogP0.77
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-Ethylpiperidin-1-yl)-2-oxoethyl]-1,2,4-triazole-3-carbonitrile
CID 45803389
1-[2-(2-Methylpiperidin-1-yl)-2-oxoethyl]-1,2,4-triazole-3-carbonitrile
CID 47138867
3-[2-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 53577472
1-[3-(3,5-Dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 72142813
4-(diethylamino)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide
CID 72153018
N,N-Diethyl-3-{[4-(propan-2-YL)-4H-1,2,4-triazol-3-YL]methyl}piperidine-1-carboxamide
CID 91911869
Cyclopropyl-[4-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone
CID 91919511
1-{3-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]piperidino}-3-methyl-1-butanone
CID 91924099
Cyclobutyl-[4-(3-cyclopropyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone
CID 110875668
3-(1-cyclohexyl-1H-1,2,4-triazol-5-yl)-N,N-dimethylpropanamide
CID 72921462
(2S)-2-[(4-ethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N,N-dimethylbutanamide
CID 129620296
1-(4-Oxo-4-piperidin-1-ylbutyl)-1,2,4-triazole-3-carbonitrile
CID 132381365

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methyl-1,2,4-triazol-4-yl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(3-methyl-1,2,4-triazol-4-yl)piperidin-1-yl]ethanone (CID 141199102) is 1-[4-(3-methyl-1,2,4-triazol-4-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(3-methyl-1,2,4-triazol-4-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(3-methyl-1,2,4-triazol-4-yl)piperidin-1-yl]ethanone is CC(=O)N1CCC(n2cnnc2C)CC1.
What is the InChIKey of 1-[4-(3-methyl-1,2,4-triazol-4-yl)piperidin-1-yl]ethanone?
The InChIKey is UMVRLUKPKCQVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-8-12-11-7-14(8)10-3-5-13(6-4-10)9(2)15/h7,10H,3-6H2,1-2H3.
What are the key properties of 1-[4-(3-methyl-1,2,4-triazol-4-yl)piperidin-1-yl]ethanone?
1-[4-(3-methyl-1,2,4-triazol-4-yl)piperidin-1-yl]ethanone has a molecular weight of 208.26 g/mol, XLogP of 0.77, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methyl-1,2,4-triazol-4-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 141199102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).