N-[2-(2-oxopiperidin-1-yl)ethyl]-2-(2,3,4-trifluorophenyl)acetamide

C15H17F3N2O2 — CID 91787002

IUPACN-[2-(2-oxopiperidin-1-yl)ethyl]-2-(2,3,4-trifluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)c(F)c1F)NCCN1CCCCC1=O
InChIInChI=1S/C15H17F3N2O2/c16-11-5-4-10(14(17)15(11)18)9-12(21)19-6-8-20-7-2-1-3-13(20)22/h4-5H,1-3,6-9H2,(H,19,21)
InChIKeyLQBQOUGRGQZYGJ-UHFFFAOYSA-N
MW314.31 g/mol
LogP1.78
Rot. Bonds5

About N-[2-(2-oxopiperidin-1-yl)ethyl]-2-(2,3,4-trifluorophenyl)acetamide

N-[2-(2-oxopiperidin-1-yl)ethyl]-2-(2,3,4-trifluorophenyl)acetamide (PubChem CID 91787002) has the molecular formula C15H17F3N2O2 and a molecular weight of 314.31 g/mol. Its IUPAC name is N-[2-(2-oxopiperidin-1-yl)ethyl]-2-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(2-oxopiperidin-1-yl)ethyl]-2-(2,3,4-trifluorophenyl)acetamide
PubChem CID91787002
Molecular FormulaC15H17F3N2O2
Molecular Weight314.31 g/mol
Exact Mass314.12
IUPAC NameN-[2-(2-oxopiperidin-1-yl)ethyl]-2-(2,3,4-trifluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)c(F)c1F)NCCN1CCCCC1=O
InChIInChI=1S/C15H17F3N2O2/c16-11-5-4-10(14(17)15(11)18)9-12(21)19-6-8-20-7-2-1-3-13(20)22/h4-5H,1-3,6-9H2,(H,19,21)
InChIKeyLQBQOUGRGQZYGJ-UHFFFAOYSA-N
XLogP1.78
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromophenyl)-N-[2-(2-oxoazepan-1-yl)ethyl]acetamide
CID 39515430
N-[2-(2-oxopiperidin-1-yl)ethyl]propanamide
CID 110722707
2-(1H-indol-3-yl)-N-[2-(2-oxopiperidin-1-yl)ethyl]acetamide
CID 110743638
2-(3-methoxyphenyl)-N-[2-(2-oxopiperidin-1-yl)ethyl]acetamide
CID 110722800
N-[2-(2-oxoazepan-1-yl)ethyl]furan-3-carboxamide
CID 39514014
3-chloro-4-fluoro-N-[2-(2-oxopyrrolidin-1-yl)ethyl]benzamide
CID 90650238
2-chloro-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide
CID 166506421
1-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(2,3,4-trifluorophenyl)urea
CID 108892423
2-(3-fluorophenoxy)-N-[2-(2-oxopiperidin-1-yl)ethyl]acetamide
CID 110722805
3-chloro-N-[2-oxo-2-[2-(2-oxoazepan-1-yl)ethylamino]ethyl]benzamide
CID 55694248
2-[4-(4-chlorobenzoyl)phenoxy]-N-[2-(2-oxoazepan-1-yl)ethyl]acetamide
CID 55765796
4-chloro-2-fluoro-N-[3-(2-oxoazepan-1-yl)propyl]benzamide
CID 46521635

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-oxopiperidin-1-yl)ethyl]-2-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of N-[2-(2-oxopiperidin-1-yl)ethyl]-2-(2,3,4-trifluorophenyl)acetamide (CID 91787002) is N-[2-(2-oxopiperidin-1-yl)ethyl]-2-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for N-[2-(2-oxopiperidin-1-yl)ethyl]-2-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for N-[2-(2-oxopiperidin-1-yl)ethyl]-2-(2,3,4-trifluorophenyl)acetamide is O=C(Cc1ccc(F)c(F)c1F)NCCN1CCCCC1=O.
What is the InChIKey of N-[2-(2-oxopiperidin-1-yl)ethyl]-2-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is LQBQOUGRGQZYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O2/c16-11-5-4-10(14(17)15(11)18)9-12(21)19-6-8-20-7-2-1-3-13(20)22/h4-5H,1-3,6-9H2,(H,19,21).
What are the key properties of N-[2-(2-oxopiperidin-1-yl)ethyl]-2-(2,3,4-trifluorophenyl)acetamide?
N-[2-(2-oxopiperidin-1-yl)ethyl]-2-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 314.31 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-oxopiperidin-1-yl)ethyl]-2-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 91787002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).