[1-(pyrrolidine-3-carbonyl)piperidin-4-yl]-(2,4,6-trifluorophenyl)methanone

C17H19F3N2O2 — CID 119787931

IUPAC[1-(pyrrolidine-3-carbonyl)piperidin-4-yl]-(2,4,6-trifluorophenyl)methanone
SMILESO=C(c1c(F)cc(F)cc1F)C1CCN(C(=O)C2CCNC2)CC1
InChIInChI=1S/C17H19F3N2O2/c18-12-7-13(19)15(14(20)8-12)16(23)10-2-5-22(6-3-10)17(24)11-1-4-21-9-11/h7-8,10-11,21H,1-6,9H2
InChIKeyXFVLLOZBXGGONW-UHFFFAOYSA-N
MW340.35 g/mol
LogP2.13
Rot. Bonds3

About [1-(pyrrolidine-3-carbonyl)piperidin-4-yl]-(2,4,6-trifluorophenyl)methanone

[1-(pyrrolidine-3-carbonyl)piperidin-4-yl]-(2,4,6-trifluorophenyl)methanone (PubChem CID 119787931) has the molecular formula C17H19F3N2O2 and a molecular weight of 340.35 g/mol. Its IUPAC name is [1-(pyrrolidine-3-carbonyl)piperidin-4-yl]-(2,4,6-trifluorophenyl)methanone.

Molecular Properties

Compound Name[1-(pyrrolidine-3-carbonyl)piperidin-4-yl]-(2,4,6-trifluorophenyl)methanone
PubChem CID119787931
Molecular FormulaC17H19F3N2O2
Molecular Weight340.35 g/mol
Exact Mass340.14
IUPAC Name[1-(pyrrolidine-3-carbonyl)piperidin-4-yl]-(2,4,6-trifluorophenyl)methanone
SMILESO=C(c1c(F)cc(F)cc1F)C1CCN(C(=O)C2CCNC2)CC1
InChIInChI=1S/C17H19F3N2O2/c18-12-7-13(19)15(14(20)8-12)16(23)10-2-5-22(6-3-10)17(24)11-1-4-21-9-11/h7-8,10-11,21H,1-6,9H2
InChIKeyXFVLLOZBXGGONW-UHFFFAOYSA-N
XLogP2.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]-(2,4,6-trifluorophenyl)methanone
CID 119326130
[4-(2,4-difluorobenzoyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone
CID 119771196
3-piperidin-4-yl-1-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]butan-1-one
CID 119787917
[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]-(2,4,6-trifluorophenyl)methanone
CID 120933033
[4-(2,4-difluorobenzoyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
CID 119771195
pyrrolidin-1-yl(pyrrolidin-3-yl)methanone;hydrochloride
CID 67294247
(4-methylpiperidin-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
CID 75419424
1-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]hexan-1-one
CID 56790869
N,N-dimethyl-1-(pyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 63005583
[4-(4-fluorophenoxy)piperidin-1-yl]-piperidin-3-ylmethanone
CID 119308981
pyrrolidin-3-yl-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 121201194
(4-phenylpiperidin-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
CID 119703069

Frequently Asked Questions

What is the IUPAC name of [1-(pyrrolidine-3-carbonyl)piperidin-4-yl]-(2,4,6-trifluorophenyl)methanone?
The IUPAC name of [1-(pyrrolidine-3-carbonyl)piperidin-4-yl]-(2,4,6-trifluorophenyl)methanone (CID 119787931) is [1-(pyrrolidine-3-carbonyl)piperidin-4-yl]-(2,4,6-trifluorophenyl)methanone.
What is the SMILES notation for [1-(pyrrolidine-3-carbonyl)piperidin-4-yl]-(2,4,6-trifluorophenyl)methanone?
The canonical SMILES for [1-(pyrrolidine-3-carbonyl)piperidin-4-yl]-(2,4,6-trifluorophenyl)methanone is O=C(c1c(F)cc(F)cc1F)C1CCN(C(=O)C2CCNC2)CC1.
What is the InChIKey of [1-(pyrrolidine-3-carbonyl)piperidin-4-yl]-(2,4,6-trifluorophenyl)methanone?
The InChIKey is XFVLLOZBXGGONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O2/c18-12-7-13(19)15(14(20)8-12)16(23)10-2-5-22(6-3-10)17(24)11-1-4-21-9-11/h7-8,10-11,21H,1-6,9H2.
What are the key properties of [1-(pyrrolidine-3-carbonyl)piperidin-4-yl]-(2,4,6-trifluorophenyl)methanone?
[1-(pyrrolidine-3-carbonyl)piperidin-4-yl]-(2,4,6-trifluorophenyl)methanone has a molecular weight of 340.35 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(pyrrolidine-3-carbonyl)piperidin-4-yl]-(2,4,6-trifluorophenyl)methanone is sourced from PubChem (CID 119787931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).