1-N-[1-(3,4-difluorophenyl)ethyl]-4-N-phenylpiperidine-1,4-dicarboxamide

C21H23F2N3O2 — CID 51275131

IUPAC1-N-[1-(3,4-difluorophenyl)ethyl]-4-N-phenylpiperidine-1,4-dicarboxamide
SMILESCC(NC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)c1ccc(F)c(F)c1
InChIInChI=1S/C21H23F2N3O2/c1-14(16-7-8-18(22)19(23)13-16)24-21(28)26-11-9-15(10-12-26)20(27)25-17-5-3-2-4-6-17/h2-8,13-15H,9-12H2,1H3,(H,24,28)(H,25,27)
InChIKeyPNFDZUBSLWDVHH-UHFFFAOYSA-N
MW387.43 g/mol
LogP4.09
Rot. Bonds4

About 1-N-[1-(3,4-difluorophenyl)ethyl]-4-N-phenylpiperidine-1,4-dicarboxamide

1-N-[1-(3,4-difluorophenyl)ethyl]-4-N-phenylpiperidine-1,4-dicarboxamide (PubChem CID 51275131) has the molecular formula C21H23F2N3O2 and a molecular weight of 387.43 g/mol. Its IUPAC name is 1-N-[1-(3,4-difluorophenyl)ethyl]-4-N-phenylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[1-(3,4-difluorophenyl)ethyl]-4-N-phenylpiperidine-1,4-dicarboxamide
PubChem CID51275131
Molecular FormulaC21H23F2N3O2
Molecular Weight387.43 g/mol
Exact Mass387.18
IUPAC Name1-N-[1-(3,4-difluorophenyl)ethyl]-4-N-phenylpiperidine-1,4-dicarboxamide
SMILESCC(NC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)c1ccc(F)c(F)c1
InChIInChI=1S/C21H23F2N3O2/c1-14(16-7-8-18(22)19(23)13-16)24-21(28)26-11-9-15(10-12-26)20(27)25-17-5-3-2-4-6-17/h2-8,13-15H,9-12H2,1H3,(H,24,28)(H,25,27)
InChIKeyPNFDZUBSLWDVHH-UHFFFAOYSA-N
XLogP4.09
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(4-fluoro-3-methylphenyl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 122005611
4-N-(3-fluorophenyl)-1-N-propan-2-ylpiperidine-1,4-dicarboxamide
CID 113008251
4-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 26753076
4-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 26753074
1-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-N-phenylpiperidine-1,4-dicarboxamide
CID 25490674
1-[[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122015948
1-N-propan-2-yl-4-N-(4-propan-2-ylphenyl)piperidine-1,4-dicarboxamide
CID 46428935
1-[(2R)-1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide
CID 26674864
N-(3,4-difluorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31786532
1-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-1,4-dicarboxamide
CID 94492379
methyl 1-[[(1S)-1-(3-chloro-4-fluorophenyl)ethyl]carbamoyl]piperidine-4-carboxylate
CID 124562986
1-(2,5-difluorobenzoyl)-N-phenylpiperidine-4-carboxamide
CID 46808218

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(3,4-difluorophenyl)ethyl]-4-N-phenylpiperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-[1-(3,4-difluorophenyl)ethyl]-4-N-phenylpiperidine-1,4-dicarboxamide (CID 51275131) is 1-N-[1-(3,4-difluorophenyl)ethyl]-4-N-phenylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[1-(3,4-difluorophenyl)ethyl]-4-N-phenylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-[1-(3,4-difluorophenyl)ethyl]-4-N-phenylpiperidine-1,4-dicarboxamide is CC(NC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)c1ccc(F)c(F)c1.
What is the InChIKey of 1-N-[1-(3,4-difluorophenyl)ethyl]-4-N-phenylpiperidine-1,4-dicarboxamide?
The InChIKey is PNFDZUBSLWDVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N3O2/c1-14(16-7-8-18(22)19(23)13-16)24-21(28)26-11-9-15(10-12-26)20(27)25-17-5-3-2-4-6-17/h2-8,13-15H,9-12H2,1H3,(H,24,28)(H,25,27).
What are the key properties of 1-N-[1-(3,4-difluorophenyl)ethyl]-4-N-phenylpiperidine-1,4-dicarboxamide?
1-N-[1-(3,4-difluorophenyl)ethyl]-4-N-phenylpiperidine-1,4-dicarboxamide has a molecular weight of 387.43 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(3,4-difluorophenyl)ethyl]-4-N-phenylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 51275131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).