1-[1-(3,4-difluoroanilino)-1-oxopropan-2-yl]-N-pyridin-2-ylpiperidine-4-carboxamide

C20H22F2N4O2 — CID 55816261

IUPAC1-[1-(3,4-difluoroanilino)-1-oxopropan-2-yl]-N-pyridin-2-ylpiperidine-4-carboxamide
SMILESCC(C(=O)Nc1ccc(F)c(F)c1)N1CCC(C(=O)Nc2ccccn2)CC1
InChIInChI=1S/C20H22F2N4O2/c1-13(19(27)24-15-5-6-16(21)17(22)12-15)26-10-7-14(8-11-26)20(28)25-18-4-2-3-9-23-18/h2-6,9,12-14H,7-8,10-11H2,1H3,(H,24,27)(H,23,25,28)
InChIKeyZCECAZXRHPJVKG-UHFFFAOYSA-N
MW388.42 g/mol
LogP3.04
Rot. Bonds5

About 1-[1-(3,4-difluoroanilino)-1-oxopropan-2-yl]-N-pyridin-2-ylpiperidine-4-carboxamide

1-[1-(3,4-difluoroanilino)-1-oxopropan-2-yl]-N-pyridin-2-ylpiperidine-4-carboxamide (PubChem CID 55816261) has the molecular formula C20H22F2N4O2 and a molecular weight of 388.42 g/mol. Its IUPAC name is 1-[1-(3,4-difluoroanilino)-1-oxopropan-2-yl]-N-pyridin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(3,4-difluoroanilino)-1-oxopropan-2-yl]-N-pyridin-2-ylpiperidine-4-carboxamide
PubChem CID55816261
Molecular FormulaC20H22F2N4O2
Molecular Weight388.42 g/mol
Exact Mass388.17
IUPAC Name1-[1-(3,4-difluoroanilino)-1-oxopropan-2-yl]-N-pyridin-2-ylpiperidine-4-carboxamide
SMILESCC(C(=O)Nc1ccc(F)c(F)c1)N1CCC(C(=O)Nc2ccccn2)CC1
InChIInChI=1S/C20H22F2N4O2/c1-13(19(27)24-15-5-6-16(21)17(22)12-15)26-10-7-14(8-11-26)20(28)25-18-4-2-3-9-23-18/h2-6,9,12-14H,7-8,10-11H2,1H3,(H,24,27)(H,23,25,28)
InChIKeyZCECAZXRHPJVKG-UHFFFAOYSA-N
XLogP3.04
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(3,4-difluoroanilino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119907159
1-(1-anilino-1-oxopropan-2-yl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 55816221
N-(3,4-difluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 60500653
1-[1-[(2S)-1-(3,4-difluoroanilino)-1-oxopropan-2-yl]piperidine-4-carbonyl]piperidine-4-carboxamide
CID 94878702
1-(1-anilino-1-oxopropan-2-yl)-N-phenylpiperidine-4-carboxamide
CID 46615473
(2S)-2-[4-(3,4-difluorophenyl)piperidin-1-yl]-N-pyrimidin-2-ylpropanamide
CID 95330628
N-(3,4-difluorophenyl)-2-morpholin-4-ylpropanamide
CID 46630811
N-(3-fluoro-4-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 17455398
N-(4-methyl-2-pyridinyl)-1-[1-(2-methylsulfanylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 55922300
N-(5-chloro-2-pyridinyl)-1-[1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 55816065
1-[1-(2,6-difluoroanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide
CID 18094756
1-[(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 9443641

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-difluoroanilino)-1-oxopropan-2-yl]-N-pyridin-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[1-(3,4-difluoroanilino)-1-oxopropan-2-yl]-N-pyridin-2-ylpiperidine-4-carboxamide (CID 55816261) is 1-[1-(3,4-difluoroanilino)-1-oxopropan-2-yl]-N-pyridin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(3,4-difluoroanilino)-1-oxopropan-2-yl]-N-pyridin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[1-(3,4-difluoroanilino)-1-oxopropan-2-yl]-N-pyridin-2-ylpiperidine-4-carboxamide is CC(C(=O)Nc1ccc(F)c(F)c1)N1CCC(C(=O)Nc2ccccn2)CC1.
What is the InChIKey of 1-[1-(3,4-difluoroanilino)-1-oxopropan-2-yl]-N-pyridin-2-ylpiperidine-4-carboxamide?
The InChIKey is ZCECAZXRHPJVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N4O2/c1-13(19(27)24-15-5-6-16(21)17(22)12-15)26-10-7-14(8-11-26)20(28)25-18-4-2-3-9-23-18/h2-6,9,12-14H,7-8,10-11H2,1H3,(H,24,27)(H,23,25,28).
What are the key properties of 1-[1-(3,4-difluoroanilino)-1-oxopropan-2-yl]-N-pyridin-2-ylpiperidine-4-carboxamide?
1-[1-(3,4-difluoroanilino)-1-oxopropan-2-yl]-N-pyridin-2-ylpiperidine-4-carboxamide has a molecular weight of 388.42 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-difluoroanilino)-1-oxopropan-2-yl]-N-pyridin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 55816261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).