(2-ethylpiperidin-1-yl)-[1-(2,3,4-trifluorobenzoyl)piperidin-4-yl]methanone

C20H25F3N2O2 — CID 113005782

IUPAC(2-ethylpiperidin-1-yl)-[1-(2,3,4-trifluorobenzoyl)piperidin-4-yl]methanone
SMILESCCC1CCCCN1C(=O)C1CCN(C(=O)c2ccc(F)c(F)c2F)CC1
InChIInChI=1S/C20H25F3N2O2/c1-2-14-5-3-4-10-25(14)19(26)13-8-11-24(12-9-13)20(27)15-6-7-16(21)18(23)17(15)22/h6-7,13-14H,2-5,8-12H2,1H3
InChIKeyRTBHEXGQRLKJRK-UHFFFAOYSA-N
MW382.43 g/mol
LogP3.75
Rot. Bonds3

About (2-ethylpiperidin-1-yl)-[1-(2,3,4-trifluorobenzoyl)piperidin-4-yl]methanone

(2-ethylpiperidin-1-yl)-[1-(2,3,4-trifluorobenzoyl)piperidin-4-yl]methanone (PubChem CID 113005782) has the molecular formula C20H25F3N2O2 and a molecular weight of 382.43 g/mol. Its IUPAC name is (2-ethylpiperidin-1-yl)-[1-(2,3,4-trifluorobenzoyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(2-ethylpiperidin-1-yl)-[1-(2,3,4-trifluorobenzoyl)piperidin-4-yl]methanone
PubChem CID113005782
Molecular FormulaC20H25F3N2O2
Molecular Weight382.43 g/mol
Exact Mass382.19
IUPAC Name(2-ethylpiperidin-1-yl)-[1-(2,3,4-trifluorobenzoyl)piperidin-4-yl]methanone
SMILESCCC1CCCCN1C(=O)C1CCN(C(=O)c2ccc(F)c(F)c2F)CC1
InChIInChI=1S/C20H25F3N2O2/c1-2-14-5-3-4-10-25(14)19(26)13-8-11-24(12-9-13)20(27)15-6-7-16(21)18(23)17(15)22/h6-7,13-14H,2-5,8-12H2,1H3
InChIKeyRTBHEXGQRLKJRK-UHFFFAOYSA-N
XLogP3.75
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

[1-(2-chlorobenzoyl)piperidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 17223347
[2-(chloromethyl)piperidin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 79757723
cyclopentyl-[4-(2,3,4-trifluorobenzoyl)-1,4-diazepan-1-yl]methanone
CID 110797846
[2-(bromomethyl)piperidin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 80659371
[(2R)-2-ethylpiperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 27244606
N'-hydroxy-1-(2,3,4-trifluorobenzoyl)piperidine-4-carboximidamide
CID 79754702
(2-ethylpiperidin-1-yl)-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]methanone
CID 109161690
cyclohexyl-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 798108
N-pentyl-1-(2,3,4-trifluorobenzoyl)piperidine-4-carboxamide
CID 113005611
1-[4-(2-ethylpiperidine-1-carbonyl)piperidin-1-yl]butan-1-one
CID 113005746
(4-aminopiperidin-1-yl)-(2,3,4-trifluorophenyl)methanone;hydrochloride
CID 119374876
(2,4-dichlorophenyl)-(2-ethylpiperidin-1-yl)methanone
CID 5060806

Frequently Asked Questions

What is the IUPAC name of (2-ethylpiperidin-1-yl)-[1-(2,3,4-trifluorobenzoyl)piperidin-4-yl]methanone?
The IUPAC name of (2-ethylpiperidin-1-yl)-[1-(2,3,4-trifluorobenzoyl)piperidin-4-yl]methanone (CID 113005782) is (2-ethylpiperidin-1-yl)-[1-(2,3,4-trifluorobenzoyl)piperidin-4-yl]methanone.
What is the SMILES notation for (2-ethylpiperidin-1-yl)-[1-(2,3,4-trifluorobenzoyl)piperidin-4-yl]methanone?
The canonical SMILES for (2-ethylpiperidin-1-yl)-[1-(2,3,4-trifluorobenzoyl)piperidin-4-yl]methanone is CCC1CCCCN1C(=O)C1CCN(C(=O)c2ccc(F)c(F)c2F)CC1.
What is the InChIKey of (2-ethylpiperidin-1-yl)-[1-(2,3,4-trifluorobenzoyl)piperidin-4-yl]methanone?
The InChIKey is RTBHEXGQRLKJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N2O2/c1-2-14-5-3-4-10-25(14)19(26)13-8-11-24(12-9-13)20(27)15-6-7-16(21)18(23)17(15)22/h6-7,13-14H,2-5,8-12H2,1H3.
What are the key properties of (2-ethylpiperidin-1-yl)-[1-(2,3,4-trifluorobenzoyl)piperidin-4-yl]methanone?
(2-ethylpiperidin-1-yl)-[1-(2,3,4-trifluorobenzoyl)piperidin-4-yl]methanone has a molecular weight of 382.43 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpiperidin-1-yl)-[1-(2,3,4-trifluorobenzoyl)piperidin-4-yl]methanone is sourced from PubChem (CID 113005782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).