6-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]-1H-pyridin-2-one

C18H17F3N2O4 — CID 67168125

IUPAC6-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1cccc(=O)[nH]1)N1CCC(Oc2cccc(OC(F)(F)F)c2)CC1
InChIInChI=1S/C18H17F3N2O4/c19-18(20,21)27-14-4-1-3-13(11-14)26-12-7-9-23(10-8-12)17(25)15-5-2-6-16(24)22-15/h1-6,11-12H,7-10H2,(H,22,24)
InChIKeySWASWZJXLDJZTA-UHFFFAOYSA-N
MW382.34 g/mol
LogP2.96
Rot. Bonds4

About 6-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]-1H-pyridin-2-one

6-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 67168125) has the molecular formula C18H17F3N2O4 and a molecular weight of 382.34 g/mol. Its IUPAC name is 6-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID67168125
Molecular FormulaC18H17F3N2O4
Molecular Weight382.34 g/mol
Exact Mass382.11
IUPAC Name6-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1cccc(=O)[nH]1)N1CCC(Oc2cccc(OC(F)(F)F)c2)CC1
InChIInChI=1S/C18H17F3N2O4/c19-18(20,21)27-14-4-1-3-13(11-14)26-12-7-9-23(10-8-12)17(25)15-5-2-6-16(24)22-15/h1-6,11-12H,7-10H2,(H,22,24)
InChIKeySWASWZJXLDJZTA-UHFFFAOYSA-N
XLogP2.96
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.34
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzamide
CID 67169178
8-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]-1H-quinolin-4-one
CID 67169812
1-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]propan-1-one
CID 145486092
3-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide
CID 67168848
4-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide
CID 53235099
(5-methoxypyrazin-2-yl)-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone
CID 67169671
1,8-naphthyridin-2-yl-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone
CID 67171137
N,N-dimethyl-2-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide
CID 67168967
4-methoxy-3-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide
CID 67169362
2-[methyl-[[2-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]phenyl]methyl]amino]acetamide
CID 67170379
2-[1-[4-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]phenyl]ethylamino]acetamide
CID 70664464
5-[4-[3-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 70750184

Frequently Asked Questions

What is the IUPAC name of 6-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 6-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]-1H-pyridin-2-one (CID 67168125) is 6-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 6-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]-1H-pyridin-2-one is O=C(c1cccc(=O)[nH]1)N1CCC(Oc2cccc(OC(F)(F)F)c2)CC1.
What is the InChIKey of 6-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is SWASWZJXLDJZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O4/c19-18(20,21)27-14-4-1-3-13(11-14)26-12-7-9-23(10-8-12)17(25)15-5-2-6-16(24)22-15/h1-6,11-12H,7-10H2,(H,22,24).
What are the key properties of 6-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]-1H-pyridin-2-one?
6-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 382.34 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 67168125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).