1-[4-[(2-acetyl-3-fluoroanilino)methyl]phenyl]piperidin-2-one

C20H21FN2O2 — CID 47981818

IUPAC1-[4-[(2-acetyl-3-fluoroanilino)methyl]phenyl]piperidin-2-one
SMILESCC(=O)c1c(F)cccc1NCc1ccc(N2CCCCC2=O)cc1
InChIInChI=1S/C20H21FN2O2/c1-14(24)20-17(21)5-4-6-18(20)22-13-15-8-10-16(11-9-15)23-12-3-2-7-19(23)25/h4-6,8-11,22H,2-3,7,12-13H2,1H3
InChIKeyMSCKRTPLWTVVOH-UHFFFAOYSA-N
MW340.40 g/mol
LogP4.16
Rot. Bonds5

About 1-[4-[(2-acetyl-3-fluoroanilino)methyl]phenyl]piperidin-2-one

1-[4-[(2-acetyl-3-fluoroanilino)methyl]phenyl]piperidin-2-one (PubChem CID 47981818) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is 1-[4-[(2-acetyl-3-fluoroanilino)methyl]phenyl]piperidin-2-one.

Molecular Properties

Compound Name1-[4-[(2-acetyl-3-fluoroanilino)methyl]phenyl]piperidin-2-one
PubChem CID47981818
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC Name1-[4-[(2-acetyl-3-fluoroanilino)methyl]phenyl]piperidin-2-one
SMILESCC(=O)c1c(F)cccc1NCc1ccc(N2CCCCC2=O)cc1
InChIInChI=1S/C20H21FN2O2/c1-14(24)20-17(21)5-4-6-18(20)22-13-15-8-10-16(11-9-15)23-12-3-2-7-19(23)25/h4-6,8-11,22H,2-3,7,12-13H2,1H3
InChIKeyMSCKRTPLWTVVOH-UHFFFAOYSA-N
XLogP4.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(benzylamino)-6-fluorophenyl]ethanone
CID 52521850
2,6-difluoro-N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]benzamide
CID 90551027
1-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea
CID 51325902
4-[[4-(2-oxopiperidin-1-yl)phenyl]methylamino]pyridine-3-carboxamide
CID 133468482
1-[4-[(4-fluoro-5-methoxy-2-nitroanilino)methyl]phenyl]piperidin-2-one
CID 133360064
7-fluoro-3-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 8589442
N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]-2-phenylacetamide
CID 70004760
2,4-difluoro-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 1259715
2-(dimethylamino)-2-(2-fluorophenyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 50974021
1-[4-[[(5-acetyl-4-methylpyrimidin-2-yl)amino]methyl]phenyl]pyrrolidin-2-one
CID 137344435
N-[(4-fluorophenyl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9270495
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-chloro-6-fluorobenzoate
CID 9414905

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-acetyl-3-fluoroanilino)methyl]phenyl]piperidin-2-one?
The IUPAC name of 1-[4-[(2-acetyl-3-fluoroanilino)methyl]phenyl]piperidin-2-one (CID 47981818) is 1-[4-[(2-acetyl-3-fluoroanilino)methyl]phenyl]piperidin-2-one.
What is the SMILES notation for 1-[4-[(2-acetyl-3-fluoroanilino)methyl]phenyl]piperidin-2-one?
The canonical SMILES for 1-[4-[(2-acetyl-3-fluoroanilino)methyl]phenyl]piperidin-2-one is CC(=O)c1c(F)cccc1NCc1ccc(N2CCCCC2=O)cc1.
What is the InChIKey of 1-[4-[(2-acetyl-3-fluoroanilino)methyl]phenyl]piperidin-2-one?
The InChIKey is MSCKRTPLWTVVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c1-14(24)20-17(21)5-4-6-18(20)22-13-15-8-10-16(11-9-15)23-12-3-2-7-19(23)25/h4-6,8-11,22H,2-3,7,12-13H2,1H3.
What are the key properties of 1-[4-[(2-acetyl-3-fluoroanilino)methyl]phenyl]piperidin-2-one?
1-[4-[(2-acetyl-3-fluoroanilino)methyl]phenyl]piperidin-2-one has a molecular weight of 340.40 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-acetyl-3-fluoroanilino)methyl]phenyl]piperidin-2-one is sourced from PubChem (CID 47981818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).