2-[(3S,4S)-1-(2,4-difluorobenzoyl)-4-(4-fluorophenoxy)piperidin-3-yl]acetamide

C20H19F3N2O3 — CID 110079604

IUPAC2-[(3S,4S)-1-(2,4-difluorobenzoyl)-4-(4-fluorophenoxy)piperidin-3-yl]acetamide
SMILESNC(=O)C[C@H]1CN(C(=O)c2ccc(F)cc2F)CC[C@@H]1Oc1ccc(F)cc1
InChIInChI=1S/C20H19F3N2O3/c21-13-1-4-15(5-2-13)28-18-7-8-25(11-12(18)9-19(24)26)20(27)16-6-3-14(22)10-17(16)23/h1-6,10,12,18H,7-9,11H2,(H2,24,26)/t12-,18-/m0/s1
InChIKeyUZPLISXIHSBUJS-SGTLLEGYSA-N
MW392.38 g/mol
LogP2.89
Rot. Bonds5

About 2-[(3S,4S)-1-(2,4-difluorobenzoyl)-4-(4-fluorophenoxy)piperidin-3-yl]acetamide

2-[(3S,4S)-1-(2,4-difluorobenzoyl)-4-(4-fluorophenoxy)piperidin-3-yl]acetamide (PubChem CID 110079604) has the molecular formula C20H19F3N2O3 and a molecular weight of 392.38 g/mol. Its IUPAC name is 2-[(3S,4S)-1-(2,4-difluorobenzoyl)-4-(4-fluorophenoxy)piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[(3S,4S)-1-(2,4-difluorobenzoyl)-4-(4-fluorophenoxy)piperidin-3-yl]acetamide
PubChem CID110079604
Molecular FormulaC20H19F3N2O3
Molecular Weight392.38 g/mol
Exact Mass392.13
IUPAC Name2-[(3S,4S)-1-(2,4-difluorobenzoyl)-4-(4-fluorophenoxy)piperidin-3-yl]acetamide
SMILESNC(=O)C[C@H]1CN(C(=O)c2ccc(F)cc2F)CC[C@@H]1Oc1ccc(F)cc1
InChIInChI=1S/C20H19F3N2O3/c21-13-1-4-15(5-2-13)28-18-7-8-25(11-12(18)9-19(24)26)20(27)16-6-3-14(22)10-17(16)23/h1-6,10,12,18H,7-9,11H2,(H2,24,26)/t12-,18-/m0/s1
InChIKeyUZPLISXIHSBUJS-SGTLLEGYSA-N
XLogP2.89
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S,4S)-1-(3-fluoro-4-methoxybenzoyl)-4-(4-fluorophenoxy)piperidin-3-yl]acetamide
CID 110079595
2-[(3S,4S)-1-(2,4-difluorobenzoyl)-4-phenoxypiperidin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 110078543
2-[(3S,4S)-4-(4-fluorophenoxy)-1-(2-methyl-1,3-oxazole-4-carbonyl)piperidin-3-yl]acetamide
CID 110079601
2-[(3S,4S)-4-(4-fluorophenoxy)-1-(2-morpholin-4-ylacetyl)piperidin-3-yl]acetamide
CID 110079585
(3-aminopyrrolidin-1-yl)-(2,4-difluorophenyl)methanone
CID 62069041
(3-bromopyrrolidin-1-yl)-(2,4-difluorophenyl)methanone
CID 80677225
2-[(3S,4S)-1-[(3,5-difluorophenyl)methylsulfonyl]-4-(4-fluorophenoxy)piperidin-3-yl]acetamide
CID 110164909
2-[(3S,4S)-4-(4-chlorophenoxy)-1-(3-methoxybenzoyl)piperidin-3-yl]acetamide
CID 110079978
2-[(3S,4S)-4-(4-chlorophenoxy)-1-(1-methylpyrazole-3-carbonyl)piperidin-3-yl]acetamide
CID 110079952
2-[(3S,4S)-4-(4-fluorophenoxy)-1-(4-methoxybenzoyl)piperidin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 110079526
(2,4-difluorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 588075
[3-(aminomethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone;hydrochloride
CID 119465009

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4S)-1-(2,4-difluorobenzoyl)-4-(4-fluorophenoxy)piperidin-3-yl]acetamide?
The IUPAC name of 2-[(3S,4S)-1-(2,4-difluorobenzoyl)-4-(4-fluorophenoxy)piperidin-3-yl]acetamide (CID 110079604) is 2-[(3S,4S)-1-(2,4-difluorobenzoyl)-4-(4-fluorophenoxy)piperidin-3-yl]acetamide.
What is the SMILES notation for 2-[(3S,4S)-1-(2,4-difluorobenzoyl)-4-(4-fluorophenoxy)piperidin-3-yl]acetamide?
The canonical SMILES for 2-[(3S,4S)-1-(2,4-difluorobenzoyl)-4-(4-fluorophenoxy)piperidin-3-yl]acetamide is NC(=O)C[C@H]1CN(C(=O)c2ccc(F)cc2F)CC[C@@H]1Oc1ccc(F)cc1.
What is the InChIKey of 2-[(3S,4S)-1-(2,4-difluorobenzoyl)-4-(4-fluorophenoxy)piperidin-3-yl]acetamide?
The InChIKey is UZPLISXIHSBUJS-SGTLLEGYSA-N. The full InChI is InChI=1S/C20H19F3N2O3/c21-13-1-4-15(5-2-13)28-18-7-8-25(11-12(18)9-19(24)26)20(27)16-6-3-14(22)10-17(16)23/h1-6,10,12,18H,7-9,11H2,(H2,24,26)/t12-,18-/m0/s1.
What are the key properties of 2-[(3S,4S)-1-(2,4-difluorobenzoyl)-4-(4-fluorophenoxy)piperidin-3-yl]acetamide?
2-[(3S,4S)-1-(2,4-difluorobenzoyl)-4-(4-fluorophenoxy)piperidin-3-yl]acetamide has a molecular weight of 392.38 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4S)-1-(2,4-difluorobenzoyl)-4-(4-fluorophenoxy)piperidin-3-yl]acetamide is sourced from PubChem (CID 110079604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).