2,2,2-trifluoro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]acetamide

C14H14F4N2O2 — CID 108548760

IUPAC2,2,2-trifluoro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]acetamide
SMILESO=C(c1cccc(F)c1)N1CCC(NC(=O)C(F)(F)F)CC1
InChIInChI=1S/C14H14F4N2O2/c15-10-3-1-2-9(8-10)12(21)20-6-4-11(5-7-20)19-13(22)14(16,17)18/h1-3,8,11H,4-7H2,(H,19,22)
InChIKeyDDMLIXNEXJHXKP-UHFFFAOYSA-N
MW318.27 g/mol
LogP2.11
Rot. Bonds2

About 2,2,2-trifluoro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]acetamide

2,2,2-trifluoro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]acetamide (PubChem CID 108548760) has the molecular formula C14H14F4N2O2 and a molecular weight of 318.27 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]acetamide
PubChem CID108548760
Molecular FormulaC14H14F4N2O2
Molecular Weight318.27 g/mol
Exact Mass318.10
IUPAC Name2,2,2-trifluoro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]acetamide
SMILESO=C(c1cccc(F)c1)N1CCC(NC(=O)C(F)(F)F)CC1
InChIInChI=1S/C14H14F4N2O2/c15-10-3-1-2-9(8-10)12(21)20-6-4-11(5-7-20)19-13(22)14(16,17)18/h1-3,8,11H,4-7H2,(H,19,22)
InChIKeyDDMLIXNEXJHXKP-UHFFFAOYSA-N
XLogP2.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.27
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-fluorobenzoyl)piperidin-4-yl]acetamide
CID 49348900
2,2-dichloro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]acetamide
CID 108566898
N-[1-(3-fluorobenzoyl)piperidin-4-yl]propanamide
CID 110820378
2-chloro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]propanamide
CID 108566907
3-fluoro-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide
CID 108557444
2-chloro-6-fluoro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]benzamide
CID 108558699
N-[1-(3-fluorobenzoyl)piperidin-4-yl]pentanamide
CID 110820382
N-[(3R)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]acetamide
CID 95051605
N-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]acetamide
CID 95051606
1-[(3R)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]-3-methylurea
CID 95051713
N-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]propanamide
CID 95051620
2,2,2-trifluoro-N-[1-(2-iodobenzoyl)piperidin-4-yl]acetamide
CID 108548674

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]acetamide (CID 108548760) is 2,2,2-trifluoro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]acetamide is O=C(c1cccc(F)c1)N1CCC(NC(=O)C(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]acetamide?
The InChIKey is DDMLIXNEXJHXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F4N2O2/c15-10-3-1-2-9(8-10)12(21)20-6-4-11(5-7-20)19-13(22)14(16,17)18/h1-3,8,11H,4-7H2,(H,19,22).
What are the key properties of 2,2,2-trifluoro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]acetamide?
2,2,2-trifluoro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]acetamide has a molecular weight of 318.27 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 108548760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).