1-[2-(2,5-difluorophenyl)acetyl]piperidine-4-carboxamide

C14H16F2N2O2 — CID 119138730

IUPAC1-[2-(2,5-difluorophenyl)acetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)Cc2cc(F)ccc2F)CC1
InChIInChI=1S/C14H16F2N2O2/c15-11-1-2-12(16)10(7-11)8-13(19)18-5-3-9(4-6-18)14(17)20/h1-2,7,9H,3-6,8H2,(H2,17,20)
InChIKeyYGRJRXYEGFLVHS-UHFFFAOYSA-N
MW282.29 g/mol
LogP1.23
Rot. Bonds3

About 1-[2-(2,5-difluorophenyl)acetyl]piperidine-4-carboxamide

1-[2-(2,5-difluorophenyl)acetyl]piperidine-4-carboxamide (PubChem CID 119138730) has the molecular formula C14H16F2N2O2 and a molecular weight of 282.29 g/mol. Its IUPAC name is 1-[2-(2,5-difluorophenyl)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(2,5-difluorophenyl)acetyl]piperidine-4-carboxamide
PubChem CID119138730
Molecular FormulaC14H16F2N2O2
Molecular Weight282.29 g/mol
Exact Mass282.12
IUPAC Name1-[2-(2,5-difluorophenyl)acetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)Cc2cc(F)ccc2F)CC1
InChIInChI=1S/C14H16F2N2O2/c15-11-1-2-12(16)10(7-11)8-13(19)18-5-3-9(4-6-18)14(17)20/h1-2,7,9H,3-6,8H2,(H2,17,20)
InChIKeyYGRJRXYEGFLVHS-UHFFFAOYSA-N
XLogP1.23
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2,5-difluorophenyl)ethanone;hydrochloride
CID 119662837
1-[(3R)-3-aminopiperidin-1-yl]-2-(2,5-difluorophenyl)ethanone
CID 176515261
2-(2,5-difluorophenyl)-1-piperazin-1-ylethanone;hydrochloride
CID 119401623
(3S)-1-[2-(2,5-difluorophenyl)acetyl]piperidine-3-carboxylic acid
CID 98024202
1-(4-aminopiperidin-1-yl)-3-(2,5-difluorophenyl)propan-1-one
CID 119375776
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(2,5-difluorophenyl)ethanone;hydrochloride
CID 119636794
1-[2-(2-chloro-4-fluorophenoxy)acetyl]piperidine-4-carboxamide
CID 30504708
1-[2-(4-fluoro-2-methylanilino)acetyl]piperidine-4-carboxamide
CID 37273732
1-(4-bromopiperidin-1-yl)-2-(2,4-difluorophenyl)ethanone
CID 80662068
1-[2-(3-chlorophenyl)acetyl]piperidine-4-carboxamide
CID 95211420
1-[2-(2,5-difluorophenyl)acetyl]-5-methylpiperidine-3-carboxylic acid
CID 122118895
1-[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-2-(2,5-difluorophenyl)ethanone
CID 124691260

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-difluorophenyl)acetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(2,5-difluorophenyl)acetyl]piperidine-4-carboxamide (CID 119138730) is 1-[2-(2,5-difluorophenyl)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(2,5-difluorophenyl)acetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(2,5-difluorophenyl)acetyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)Cc2cc(F)ccc2F)CC1.
What is the InChIKey of 1-[2-(2,5-difluorophenyl)acetyl]piperidine-4-carboxamide?
The InChIKey is YGRJRXYEGFLVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O2/c15-11-1-2-12(16)10(7-11)8-13(19)18-5-3-9(4-6-18)14(17)20/h1-2,7,9H,3-6,8H2,(H2,17,20).
What are the key properties of 1-[2-(2,5-difluorophenyl)acetyl]piperidine-4-carboxamide?
1-[2-(2,5-difluorophenyl)acetyl]piperidine-4-carboxamide has a molecular weight of 282.29 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-difluorophenyl)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 119138730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).