1-(4-cyano-2-fluorophenyl)-N-[(1-fluorocyclopentyl)methyl]piperidine-4-carboxamide

C19H23F2N3O — CID 155946287

IUPAC1-(4-cyano-2-fluorophenyl)-N-[(1-fluorocyclopentyl)methyl]piperidine-4-carboxamide
SMILESN#Cc1ccc(N2CCC(C(=O)NCC3(F)CCCC3)CC2)c(F)c1
InChIInChI=1S/C19H23F2N3O/c20-16-11-14(12-22)3-4-17(16)24-9-5-15(6-10-24)18(25)23-13-19(21)7-1-2-8-19/h3-4,11,15H,1-2,5-10,13H2,(H,23,25)
InChIKeyMEYFDXLXGKMSAU-UHFFFAOYSA-N
MW347.41 g/mol
LogP3.31
Rot. Bonds4

About 1-(4-cyano-2-fluorophenyl)-N-[(1-fluorocyclopentyl)methyl]piperidine-4-carboxamide

1-(4-cyano-2-fluorophenyl)-N-[(1-fluorocyclopentyl)methyl]piperidine-4-carboxamide (PubChem CID 155946287) has the molecular formula C19H23F2N3O and a molecular weight of 347.41 g/mol. Its IUPAC name is 1-(4-cyano-2-fluorophenyl)-N-[(1-fluorocyclopentyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-cyano-2-fluorophenyl)-N-[(1-fluorocyclopentyl)methyl]piperidine-4-carboxamide
PubChem CID155946287
Molecular FormulaC19H23F2N3O
Molecular Weight347.41 g/mol
Exact Mass347.18
IUPAC Name1-(4-cyano-2-fluorophenyl)-N-[(1-fluorocyclopentyl)methyl]piperidine-4-carboxamide
SMILESN#Cc1ccc(N2CCC(C(=O)NCC3(F)CCCC3)CC2)c(F)c1
InChIInChI=1S/C19H23F2N3O/c20-16-11-14(12-22)3-4-17(16)24-9-5-15(6-10-24)18(25)23-13-19(21)7-1-2-8-19/h3-4,11,15H,1-2,5-10,13H2,(H,23,25)
InChIKeyMEYFDXLXGKMSAU-UHFFFAOYSA-N
XLogP3.31
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-cyano-2-fluorophenyl)-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]piperidine-4-carboxamide
CID 155945961
1-(4-cyano-2-fluorophenyl)-N-[2-(propanoylamino)ethyl]piperidine-4-carboxamide
CID 166286739
(3S)-1-(4-cyano-2-fluorophenyl)pyrrolidine-3-carboxylic acid
CID 94917986
1-(4-cyano-2-fluorophenyl)-N-(4-ethyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 167912663
3-fluoro-4-piperidin-1-ylbenzonitrile
CID 807896
1-[1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618855
3-fluoro-4-(4-formylpiperidin-1-yl)benzonitrile
CID 62663101
1-(4-cyano-2,6-difluorophenyl)-N-ethylpiperidine-4-carboxamide
CID 167966784
1-(4-cyano-2-fluorophenyl)-N-(2-cyclopropyl-3-pyridinyl)piperidine-4-carboxamide
CID 155954791
4-[4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]piperidin-1-yl]-3-fluorobenzonitrile
CID 94817550
1-(4-cyano-2-fluorophenyl)piperidine-2-carboxylic acid
CID 43656955
ethyl 4-(4-cyano-2-fluorophenyl)piperazine-1-carboxylate
CID 6486814

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyano-2-fluorophenyl)-N-[(1-fluorocyclopentyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-cyano-2-fluorophenyl)-N-[(1-fluorocyclopentyl)methyl]piperidine-4-carboxamide (CID 155946287) is 1-(4-cyano-2-fluorophenyl)-N-[(1-fluorocyclopentyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-cyano-2-fluorophenyl)-N-[(1-fluorocyclopentyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-cyano-2-fluorophenyl)-N-[(1-fluorocyclopentyl)methyl]piperidine-4-carboxamide is N#Cc1ccc(N2CCC(C(=O)NCC3(F)CCCC3)CC2)c(F)c1.
What is the InChIKey of 1-(4-cyano-2-fluorophenyl)-N-[(1-fluorocyclopentyl)methyl]piperidine-4-carboxamide?
The InChIKey is MEYFDXLXGKMSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N3O/c20-16-11-14(12-22)3-4-17(16)24-9-5-15(6-10-24)18(25)23-13-19(21)7-1-2-8-19/h3-4,11,15H,1-2,5-10,13H2,(H,23,25).
What are the key properties of 1-(4-cyano-2-fluorophenyl)-N-[(1-fluorocyclopentyl)methyl]piperidine-4-carboxamide?
1-(4-cyano-2-fluorophenyl)-N-[(1-fluorocyclopentyl)methyl]piperidine-4-carboxamide has a molecular weight of 347.41 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyano-2-fluorophenyl)-N-[(1-fluorocyclopentyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 155946287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).