1-(4-cyano-2,6-difluorophenyl)-N-ethylpiperidine-4-carboxamide

C15H17F2N3O — CID 167966784

IUPAC1-(4-cyano-2,6-difluorophenyl)-N-ethylpiperidine-4-carboxamide
SMILESCCNC(=O)C1CCN(c2c(F)cc(C#N)cc2F)CC1
InChIInChI=1S/C15H17F2N3O/c1-2-19-15(21)11-3-5-20(6-4-11)14-12(16)7-10(9-18)8-13(14)17/h7-8,11H,2-6H2,1H3,(H,19,21)
InChIKeySHMOTVPBFBHRCZ-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.19
Rot. Bonds3

About 1-(4-cyano-2,6-difluorophenyl)-N-ethylpiperidine-4-carboxamide

1-(4-cyano-2,6-difluorophenyl)-N-ethylpiperidine-4-carboxamide (PubChem CID 167966784) has the molecular formula C15H17F2N3O and a molecular weight of 293.32 g/mol. Its IUPAC name is 1-(4-cyano-2,6-difluorophenyl)-N-ethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-cyano-2,6-difluorophenyl)-N-ethylpiperidine-4-carboxamide
PubChem CID167966784
Molecular FormulaC15H17F2N3O
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name1-(4-cyano-2,6-difluorophenyl)-N-ethylpiperidine-4-carboxamide
SMILESCCNC(=O)C1CCN(c2c(F)cc(C#N)cc2F)CC1
InChIInChI=1S/C15H17F2N3O/c1-2-19-15(21)11-3-5-20(6-4-11)14-12(16)7-10(9-18)8-13(14)17/h7-8,11H,2-6H2,1H3,(H,19,21)
InChIKeySHMOTVPBFBHRCZ-UHFFFAOYSA-N
XLogP2.19
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-cyano-2,6-difluorophenyl)-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide
CID 166204275
1-(4-cyano-2,6-difluorophenyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 47089927
3,5-difluoro-4-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]benzonitrile
CID 51101953
1-(4-cyano-2-fluorophenyl)-N-[2-(propanoylamino)ethyl]piperidine-4-carboxamide
CID 166286739
4-(4-ethylazepan-1-yl)-3,5-difluorobenzonitrile
CID 78992299
3,5-difluoro-4-(4-formylpiperidin-1-yl)benzonitrile
CID 81285282
ethyl 4-(4-cyano-2,6-difluorophenyl)piperazine-1-carboxylate
CID 60602596
1-(4-cyano-2,6-difluorophenyl)-4-ethylpiperidine-4-carboxylic acid
CID 81285251
N-[[1-(4-cyano-2,6-difluorophenyl)piperidin-3-yl]methyl]acetamide
CID 60609370
1-(4-cyano-2,6-difluorophenyl)piperidine-3-carboxylic acid
CID 81293301
1-(4-cyano-2-fluorophenyl)-N-[(1-fluorocyclopentyl)methyl]piperidine-4-carboxamide
CID 155946287
3,5-difluoro-4-[3-(hydroxymethyl)pyrrolidin-1-yl]benzonitrile
CID 78998796

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyano-2,6-difluorophenyl)-N-ethylpiperidine-4-carboxamide?
The IUPAC name of 1-(4-cyano-2,6-difluorophenyl)-N-ethylpiperidine-4-carboxamide (CID 167966784) is 1-(4-cyano-2,6-difluorophenyl)-N-ethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(4-cyano-2,6-difluorophenyl)-N-ethylpiperidine-4-carboxamide?
The canonical SMILES for 1-(4-cyano-2,6-difluorophenyl)-N-ethylpiperidine-4-carboxamide is CCNC(=O)C1CCN(c2c(F)cc(C#N)cc2F)CC1.
What is the InChIKey of 1-(4-cyano-2,6-difluorophenyl)-N-ethylpiperidine-4-carboxamide?
The InChIKey is SHMOTVPBFBHRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O/c1-2-19-15(21)11-3-5-20(6-4-11)14-12(16)7-10(9-18)8-13(14)17/h7-8,11H,2-6H2,1H3,(H,19,21).
What are the key properties of 1-(4-cyano-2,6-difluorophenyl)-N-ethylpiperidine-4-carboxamide?
1-(4-cyano-2,6-difluorophenyl)-N-ethylpiperidine-4-carboxamide has a molecular weight of 293.32 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyano-2,6-difluorophenyl)-N-ethylpiperidine-4-carboxamide is sourced from PubChem (CID 167966784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).