[3-(methylamino)piperidin-1-yl]-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone

C14H18F3N3O2 — CID 119490982

IUPAC[3-(methylamino)piperidin-1-yl]-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone
SMILESCNC1CCCN(C(=O)c2ccc(OCC(F)(F)F)nc2)C1
InChIInChI=1S/C14H18F3N3O2/c1-18-11-3-2-6-20(8-11)13(21)10-4-5-12(19-7-10)22-9-14(15,16)17/h4-5,7,11,18H,2-3,6,8-9H2,1H3
InChIKeyDCLISIVFLKBYSZ-UHFFFAOYSA-N
MW317.31 g/mol
LogP1.85
Rot. Bonds4

About [3-(methylamino)piperidin-1-yl]-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone

[3-(methylamino)piperidin-1-yl]-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone (PubChem CID 119490982) has the molecular formula C14H18F3N3O2 and a molecular weight of 317.31 g/mol. Its IUPAC name is [3-(methylamino)piperidin-1-yl]-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[3-(methylamino)piperidin-1-yl]-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone
PubChem CID119490982
Molecular FormulaC14H18F3N3O2
Molecular Weight317.31 g/mol
Exact Mass317.14
IUPAC Name[3-(methylamino)piperidin-1-yl]-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone
SMILESCNC1CCCN(C(=O)c2ccc(OCC(F)(F)F)nc2)C1
InChIInChI=1S/C14H18F3N3O2/c1-18-11-3-2-6-20(8-11)13(21)10-4-5-12(19-7-10)22-9-14(15,16)17/h4-5,7,11,18H,2-3,6,8-9H2,1H3
InChIKeyDCLISIVFLKBYSZ-UHFFFAOYSA-N
XLogP1.85
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(4S)-4-(dimethylamino)azepan-1-yl]-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone
CID 100636861
N-(2-aminoethyl)-1-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]piperidine-3-carboxamide
CID 119480989
[3-(methylamino)piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride
CID 119491784
4-methyl-N-[[(3R)-1-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]piperidin-3-yl]methyl]benzenesulfonamide
CID 52522285
[(3R)-3-(methylamino)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 124575485
[6-(4-bromophenoxy)-3-pyridinyl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119487661
(4-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535610
(4-fluorophenyl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 172646152
[3-(methylamino)piperidin-1-yl]-[4-(trifluoromethylsulfanyl)phenyl]methanone
CID 119491013
[3-(methylamino)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride
CID 119413882
[3-(methylamino)piperidin-1-yl]-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone;dihydrochloride
CID 119493478
[(3R,4S)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone
CID 97097008

Frequently Asked Questions

What is the IUPAC name of [3-(methylamino)piperidin-1-yl]-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone?
The IUPAC name of [3-(methylamino)piperidin-1-yl]-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone (CID 119490982) is [3-(methylamino)piperidin-1-yl]-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone.
What is the SMILES notation for [3-(methylamino)piperidin-1-yl]-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone?
The canonical SMILES for [3-(methylamino)piperidin-1-yl]-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone is CNC1CCCN(C(=O)c2ccc(OCC(F)(F)F)nc2)C1.
What is the InChIKey of [3-(methylamino)piperidin-1-yl]-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone?
The InChIKey is DCLISIVFLKBYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O2/c1-18-11-3-2-6-20(8-11)13(21)10-4-5-12(19-7-10)22-9-14(15,16)17/h4-5,7,11,18H,2-3,6,8-9H2,1H3.
What are the key properties of [3-(methylamino)piperidin-1-yl]-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone?
[3-(methylamino)piperidin-1-yl]-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone has a molecular weight of 317.31 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylamino)piperidin-1-yl]-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone is sourced from PubChem (CID 119490982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).