1-(4-cyano-2-fluorophenyl)-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]piperidine-4-carboxamide

C23H23F2N3O — CID 155945961

IUPAC1-(4-cyano-2-fluorophenyl)-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]piperidine-4-carboxamide
SMILESN#Cc1ccc(N2CCC(C(=O)NCC3(c4cccc(F)c4)CC3)CC2)c(F)c1
InChIInChI=1S/C23H23F2N3O/c24-19-3-1-2-18(13-19)23(8-9-23)15-27-22(29)17-6-10-28(11-7-17)21-5-4-16(14-26)12-20(21)25/h1-5,12-13,17H,6-11,15H2,(H,27,29)
InChIKeyVFVRKCLJLCZFNA-UHFFFAOYSA-N
MW395.45 g/mol
LogP3.90
Rot. Bonds5

About 1-(4-cyano-2-fluorophenyl)-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]piperidine-4-carboxamide

1-(4-cyano-2-fluorophenyl)-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]piperidine-4-carboxamide (PubChem CID 155945961) has the molecular formula C23H23F2N3O and a molecular weight of 395.45 g/mol. Its IUPAC name is 1-(4-cyano-2-fluorophenyl)-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-cyano-2-fluorophenyl)-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]piperidine-4-carboxamide
PubChem CID155945961
Molecular FormulaC23H23F2N3O
Molecular Weight395.45 g/mol
Exact Mass395.18
IUPAC Name1-(4-cyano-2-fluorophenyl)-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]piperidine-4-carboxamide
SMILESN#Cc1ccc(N2CCC(C(=O)NCC3(c4cccc(F)c4)CC3)CC2)c(F)c1
InChIInChI=1S/C23H23F2N3O/c24-19-3-1-2-18(13-19)23(8-9-23)15-27-22(29)17-6-10-28(11-7-17)21-5-4-16(14-26)12-20(21)25/h1-5,12-13,17H,6-11,15H2,(H,27,29)
InChIKeyVFVRKCLJLCZFNA-UHFFFAOYSA-N
XLogP3.90
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.45
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-cyano-2-fluorophenyl)-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]piperidine-4-carboxamide with MolForge

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Related Compounds

1-(4-cyano-2-fluorophenyl)-N-[(1-fluorocyclopentyl)methyl]piperidine-4-carboxamide
CID 155946287
1-(4-cyano-2-fluorophenyl)-N-[2-(propanoylamino)ethyl]piperidine-4-carboxamide
CID 166286739
N-[[1-(3-fluorophenyl)cyclopropyl]methyl]piperidine-3-carboxamide
CID 110482446
(3S)-1-(4-cyano-2-fluorophenyl)pyrrolidine-3-carboxylic acid
CID 94917986
1-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-3-[[4-(3-fluorophenyl)oxan-4-yl]methyl]urea
CID 86896048
3-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119799668
1-(4-cyano-2-fluorophenyl)-N-(2-cyclopropyl-3-pyridinyl)piperidine-4-carboxamide
CID 155954791
1-(4-cyano-2-fluorophenyl)-N-(4-ethyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 167912663
1-(5-cyano-2-pyridinyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 16588046
N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 111444284
3-fluoro-4-(4-formylpiperidin-1-yl)benzonitrile
CID 62663101
1-(4-cyano-2,6-difluorophenyl)-N-ethylpiperidine-4-carboxamide
CID 167966784

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyano-2-fluorophenyl)-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-cyano-2-fluorophenyl)-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]piperidine-4-carboxamide (CID 155945961) is 1-(4-cyano-2-fluorophenyl)-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-cyano-2-fluorophenyl)-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-cyano-2-fluorophenyl)-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]piperidine-4-carboxamide is N#Cc1ccc(N2CCC(C(=O)NCC3(c4cccc(F)c4)CC3)CC2)c(F)c1.
What is the InChIKey of 1-(4-cyano-2-fluorophenyl)-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]piperidine-4-carboxamide?
The InChIKey is VFVRKCLJLCZFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N3O/c24-19-3-1-2-18(13-19)23(8-9-23)15-27-22(29)17-6-10-28(11-7-17)21-5-4-16(14-26)12-20(21)25/h1-5,12-13,17H,6-11,15H2,(H,27,29).
What are the key properties of 1-(4-cyano-2-fluorophenyl)-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]piperidine-4-carboxamide?
1-(4-cyano-2-fluorophenyl)-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]piperidine-4-carboxamide has a molecular weight of 395.45 g/mol, XLogP of 3.90, 5 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-(3-fluorophenyl)cyclopropyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 155945961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).