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

C10H14F2N4O — CID 103515132

IUPAC2,2-difluoro-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
SMILESCn1cnnc1C1CCCN(C(=O)C(F)F)C1
InChIInChI=1S/C10H14F2N4O/c1-15-6-13-14-9(15)7-3-2-4-16(5-7)10(17)8(11)12/h6-8H,2-5H2,1H3
InChIKeyXHWAODYNSZAYFE-UHFFFAOYSA-N
MW244.24 g/mol
LogP0.79
Rot. Bonds2

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

2,2-difluoro-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone (PubChem CID 103515132) has the molecular formula C10H14F2N4O and a molecular weight of 244.24 g/mol. Its IUPAC name is 2,2-difluoro-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2,2-difluoro-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
PubChem CID103515132
Molecular FormulaC10H14F2N4O
Molecular Weight244.24 g/mol
Exact Mass244.11
IUPAC Name2,2-difluoro-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
SMILESCn1cnnc1C1CCCN(C(=O)C(F)F)C1
InChIInChI=1S/C10H14F2N4O/c1-15-6-13-14-9(15)7-3-2-4-16(5-7)10(17)8(11)12/h6-8H,2-5H2,1H3
InChIKeyXHWAODYNSZAYFE-UHFFFAOYSA-N
XLogP0.79
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4,5-Dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 72114194
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
Cyclopentyl-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone
CID 110203890
4-(4-methyl-4H-1,2,4-triazol-3-yl)-1-(3,3,3-trifluoro-2-methylpropyl)piperidine
CID 77085462
(5S)-1-cyclopentyl-5-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidin-2-one
CID 129625577
(3S)-3-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidin-2-one
CID 164641363
(3,3-difluoropyrrolidin-1-yl)-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanone
CID 164642652
3,3,3-Trifluoro-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one
CID 45819245
1-[2-Oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]-1,2,4-triazole-3-carbonitrile
CID 47288421
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)piperidine-1-carboxamide
CID 51084737
[4-(4-Methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[3-(trifluoromethyl)cyclohexyl]methanone
CID 53523422

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2,2-difluoro-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone (CID 103515132) is 2,2-difluoro-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2,2-difluoro-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2,2-difluoro-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone is Cn1cnnc1C1CCCN(C(=O)C(F)F)C1.
What is the InChIKey of 2,2-difluoro-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone?
The InChIKey is XHWAODYNSZAYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N4O/c1-15-6-13-14-9(15)7-3-2-4-16(5-7)10(17)8(11)12/h6-8H,2-5H2,1H3.
What are the key properties of 2,2-difluoro-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone?
2,2-difluoro-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone has a molecular weight of 244.24 g/mol, XLogP of 0.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 103515132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).