N-[[1-(4-cyano-2,6-difluorophenyl)piperidin-3-yl]methyl]acetamide

C15H17F2N3O — CID 60609370

IUPACN-[[1-(4-cyano-2,6-difluorophenyl)piperidin-3-yl]methyl]acetamide
SMILESCC(=O)NCC1CCCN(c2c(F)cc(C#N)cc2F)C1
InChIInChI=1S/C15H17F2N3O/c1-10(21)19-8-11-3-2-4-20(9-11)15-13(16)5-12(7-18)6-14(15)17/h5-6,11H,2-4,8-9H2,1H3,(H,19,21)
InChIKeyIVIQJMUTOAEWCF-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.19
Rot. Bonds3

About N-[[1-(4-cyano-2,6-difluorophenyl)piperidin-3-yl]methyl]acetamide

N-[[1-(4-cyano-2,6-difluorophenyl)piperidin-3-yl]methyl]acetamide (PubChem CID 60609370) has the molecular formula C15H17F2N3O and a molecular weight of 293.32 g/mol. Its IUPAC name is N-[[1-(4-cyano-2,6-difluorophenyl)piperidin-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-(4-cyano-2,6-difluorophenyl)piperidin-3-yl]methyl]acetamide
PubChem CID60609370
Molecular FormulaC15H17F2N3O
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC NameN-[[1-(4-cyano-2,6-difluorophenyl)piperidin-3-yl]methyl]acetamide
SMILESCC(=O)NCC1CCCN(c2c(F)cc(C#N)cc2F)C1
InChIInChI=1S/C15H17F2N3O/c1-10(21)19-8-11-3-2-4-20(9-11)15-13(16)5-12(7-18)6-14(15)17/h5-6,11H,2-4,8-9H2,1H3,(H,19,21)
InChIKeyIVIQJMUTOAEWCF-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)piperidine-3-carboxylic acid
CID 81293301
3,5-difluoro-4-[(3S)-3-hydroxypiperidin-1-yl]benzonitrile
CID 107225503
4-(4-ethylazepan-1-yl)-3,5-difluorobenzonitrile
CID 78992299
3,5-difluoro-4-[3-(hydroxymethyl)pyrrolidin-1-yl]benzonitrile
CID 78998796
3,5-difluoro-4-[3-(1-hydroxyethyl)piperidin-1-yl]benzonitrile
CID 133397699
1-(4-cyano-2,6-difluorophenyl)-N-ethylpiperidine-4-carboxamide
CID 167966784
N-[[1-(4-fluoro-2-nitrophenyl)piperidin-3-yl]methyl]acetamide
CID 133274957
3,5-difluoro-4-[3-(hydroxymethyl)azetidin-1-yl]benzonitrile
CID 81294710
N-[[1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]methyl]acetamide
CID 123632688
4-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-3,5-difluorobenzonitrile
CID 95622926
N-[[1-(3,6-difluoro-2-methyl-4-nitrophenyl)pyrrolidin-3-yl]methyl]acetamide
CID 14834664
N-[[1-(4-nitrophenyl)piperidin-3-yl]methyl]acetamide
CID 133274968

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-cyano-2,6-difluorophenyl)piperidin-3-yl]methyl]acetamide?
The IUPAC name of N-[[1-(4-cyano-2,6-difluorophenyl)piperidin-3-yl]methyl]acetamide (CID 60609370) is N-[[1-(4-cyano-2,6-difluorophenyl)piperidin-3-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-(4-cyano-2,6-difluorophenyl)piperidin-3-yl]methyl]acetamide?
The canonical SMILES for N-[[1-(4-cyano-2,6-difluorophenyl)piperidin-3-yl]methyl]acetamide is CC(=O)NCC1CCCN(c2c(F)cc(C#N)cc2F)C1.
What is the InChIKey of N-[[1-(4-cyano-2,6-difluorophenyl)piperidin-3-yl]methyl]acetamide?
The InChIKey is IVIQJMUTOAEWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O/c1-10(21)19-8-11-3-2-4-20(9-11)15-13(16)5-12(7-18)6-14(15)17/h5-6,11H,2-4,8-9H2,1H3,(H,19,21).
What are the key properties of N-[[1-(4-cyano-2,6-difluorophenyl)piperidin-3-yl]methyl]acetamide?
N-[[1-(4-cyano-2,6-difluorophenyl)piperidin-3-yl]methyl]acetamide 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 N-[[1-(4-cyano-2,6-difluorophenyl)piperidin-3-yl]methyl]acetamide is sourced from PubChem (CID 60609370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).