1-[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide

C22H24F2N4O3 — CID 42926368

IUPAC1-[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide
SMILESO=C(CN1CCCC(C(=O)Nc2ccccc2)C1)NCC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C22H24F2N4O3/c23-18-9-8-17(11-19(18)24)26-20(29)12-25-21(30)14-28-10-4-5-15(13-28)22(31)27-16-6-2-1-3-7-16/h1-3,6-9,11,15H,4-5,10,12-14H2,(H,25,30)(H,26,29)(H,27,31)
InChIKeyLUSHXZKYKVYKQI-UHFFFAOYSA-N
MW430.46 g/mol
LogP2.37
Rot. Bonds7

About 1-[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide

1-[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide (PubChem CID 42926368) has the molecular formula C22H24F2N4O3 and a molecular weight of 430.46 g/mol. Its IUPAC name is 1-[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide
PubChem CID42926368
Molecular FormulaC22H24F2N4O3
Molecular Weight430.46 g/mol
Exact Mass430.18
IUPAC Name1-[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide
SMILESO=C(CN1CCCC(C(=O)Nc2ccccc2)C1)NCC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C22H24F2N4O3/c23-18-9-8-17(11-19(18)24)26-20(29)12-25-21(30)14-28-10-4-5-15(13-28)22(31)27-16-6-2-1-3-7-16/h1-3,6-9,11,15H,4-5,10,12-14H2,(H,25,30)(H,26,29)(H,27,31)
InChIKeyLUSHXZKYKVYKQI-UHFFFAOYSA-N
XLogP2.37
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-anilino-2-oxoethyl)-N-phenylpiperidine-3-carboxamide
CID 17496230
2-[[2-[3-(acetamidomethyl)piperidin-1-yl]acetyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 86854742
1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide
CID 18125275
(3R)-1-(benzenesulfonyl)-N-(3,4-difluorophenyl)piperidine-3-carboxamide
CID 28550014
1-[(2,4-dichlorophenyl)methyl]-N-(3,4-difluorophenyl)piperidine-3-carboxamide
CID 43925020
N-(3,4-difluorophenyl)-1-methylpiperidine-3-carboxamide
CID 110865367
N-(3,4-difluorophenyl)-2-(phenylcarbamoylamino)acetamide
CID 17451179
N-(3,4-difluorophenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972309
1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide
CID 18125292
1-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide
CID 87015216
(3R)-1-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9306042
3-N-(2-anilino-2-oxoethyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 55991364

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide?
The IUPAC name of 1-[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide (CID 42926368) is 1-[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide?
The canonical SMILES for 1-[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide is O=C(CN1CCCC(C(=O)Nc2ccccc2)C1)NCC(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of 1-[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide?
The InChIKey is LUSHXZKYKVYKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N4O3/c23-18-9-8-17(11-19(18)24)26-20(29)12-25-21(30)14-28-10-4-5-15(13-28)22(31)27-16-6-2-1-3-7-16/h1-3,6-9,11,15H,4-5,10,12-14H2,(H,25,30)(H,26,29)(H,27,31).
What are the key properties of 1-[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide?
1-[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide has a molecular weight of 430.46 g/mol, XLogP of 2.37, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 42926368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).