(4-methylidenepiperidin-1-yl)-[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methanone

C19H22F3NO — CID 56575500

IUPAC(4-methylidenepiperidin-1-yl)-[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methanone
SMILESC=C1CCN(C(=O)C2(c3cccc(C(F)(F)F)c3)CCCC2)CC1
InChIInChI=1S/C19H22F3NO/c1-14-7-11-23(12-8-14)17(24)18(9-2-3-10-18)15-5-4-6-16(13-15)19(20,21)22/h4-6,13H,1-3,7-12H2
InChIKeyJLHYZJHLURVENV-UHFFFAOYSA-N
MW337.39 g/mol
LogP4.70
Rot. Bonds2

About (4-methylidenepiperidin-1-yl)-[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methanone

(4-methylidenepiperidin-1-yl)-[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methanone (PubChem CID 56575500) has the molecular formula C19H22F3NO and a molecular weight of 337.39 g/mol. Its IUPAC name is (4-methylidenepiperidin-1-yl)-[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methanone.

Molecular Properties

Compound Name(4-methylidenepiperidin-1-yl)-[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methanone
PubChem CID56575500
Molecular FormulaC19H22F3NO
Molecular Weight337.39 g/mol
Exact Mass337.17
IUPAC Name(4-methylidenepiperidin-1-yl)-[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methanone
SMILESC=C1CCN(C(=O)C2(c3cccc(C(F)(F)F)c3)CCCC2)CC1
InChIInChI=1S/C19H22F3NO/c1-14-7-11-23(12-8-14)17(24)18(9-2-3-10-18)15-5-4-6-16(13-15)19(20,21)22/h4-6,13H,1-3,7-12H2
InChIKeyJLHYZJHLURVENV-UHFFFAOYSA-N
XLogP4.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[4-(methylamino)piperidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanone
CID 119561328
6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanone
CID 127906304
(3-hydroxypiperidin-1-yl)-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 110928443
(8aS)-7-[1-[3-(trifluoromethyl)phenyl]cyclohexanecarbonyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 99814639
piperidin-1-yl-[1-[4-[3-(trifluoromethyl)phenyl]oxane-4-carbonyl]piperidin-4-yl]methanone
CID 55997592
N-methylsulfonyl-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide
CID 146154637
N-propyl-1-[1-[3-(trifluoromethyl)phenyl]cyclopentanecarbonyl]piperidine-3-carboxamide
CID 47088076
[4-(3-aminopropoxy)piperidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 119664663
(2R)-4-[1-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]morpholine-2-carboxylic acid
CID 124703954
[3-(1-aminoethyl)piperidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone;hydrochloride
CID 119596794
[1-(3-fluorophenyl)cyclopentyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 55331330
3-[[1-[3-(trifluoromethyl)phenyl]cyclopentanecarbonyl]amino]propanoic acid
CID 119177258

Frequently Asked Questions

What is the IUPAC name of (4-methylidenepiperidin-1-yl)-[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methanone?
The IUPAC name of (4-methylidenepiperidin-1-yl)-[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methanone (CID 56575500) is (4-methylidenepiperidin-1-yl)-[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methanone.
What is the SMILES notation for (4-methylidenepiperidin-1-yl)-[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methanone?
The canonical SMILES for (4-methylidenepiperidin-1-yl)-[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methanone is C=C1CCN(C(=O)C2(c3cccc(C(F)(F)F)c3)CCCC2)CC1.
What is the InChIKey of (4-methylidenepiperidin-1-yl)-[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methanone?
The InChIKey is JLHYZJHLURVENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3NO/c1-14-7-11-23(12-8-14)17(24)18(9-2-3-10-18)15-5-4-6-16(13-15)19(20,21)22/h4-6,13H,1-3,7-12H2.
What are the key properties of (4-methylidenepiperidin-1-yl)-[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methanone?
(4-methylidenepiperidin-1-yl)-[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methanone has a molecular weight of 337.39 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylidenepiperidin-1-yl)-[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methanone is sourced from PubChem (CID 56575500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).