1-(4-cyano-2-fluorophenyl)-N-(2-cyclopropyl-3-pyridinyl)piperidine-4-carboxamide

C21H21FN4O — CID 155954791

IUPAC1-(4-cyano-2-fluorophenyl)-N-(2-cyclopropyl-3-pyridinyl)piperidine-4-carboxamide
SMILESN#Cc1ccc(N2CCC(C(=O)Nc3cccnc3C3CC3)CC2)c(F)c1
InChIInChI=1S/C21H21FN4O/c22-17-12-14(13-23)3-6-19(17)26-10-7-16(8-11-26)21(27)25-18-2-1-9-24-20(18)15-4-5-15/h1-3,6,9,12,15-16H,4-5,7-8,10-11H2,(H,25,27)
InChIKeyVVPCUSDDJQQMID-UHFFFAOYSA-N
MW364.42 g/mol
LogP3.82
Rot. Bonds4

About 1-(4-cyano-2-fluorophenyl)-N-(2-cyclopropyl-3-pyridinyl)piperidine-4-carboxamide

1-(4-cyano-2-fluorophenyl)-N-(2-cyclopropyl-3-pyridinyl)piperidine-4-carboxamide (PubChem CID 155954791) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is 1-(4-cyano-2-fluorophenyl)-N-(2-cyclopropyl-3-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-cyano-2-fluorophenyl)-N-(2-cyclopropyl-3-pyridinyl)piperidine-4-carboxamide
PubChem CID155954791
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC Name1-(4-cyano-2-fluorophenyl)-N-(2-cyclopropyl-3-pyridinyl)piperidine-4-carboxamide
SMILESN#Cc1ccc(N2CCC(C(=O)Nc3cccnc3C3CC3)CC2)c(F)c1
InChIInChI=1S/C21H21FN4O/c22-17-12-14(13-23)3-6-19(17)26-10-7-16(8-11-26)21(27)25-18-2-1-9-24-20(18)15-4-5-15/h1-3,6,9,12,15-16H,4-5,7-8,10-11H2,(H,25,27)
InChIKeyVVPCUSDDJQQMID-UHFFFAOYSA-N
XLogP3.82
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(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
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-bis(2-fluorophenyl)piperidine-4-carboxamide
CID 17152573
1-(4-cyano-2-fluorophenyl)-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]piperidine-4-carboxamide
CID 155945961
3-fluoro-4-(4-formylpiperidin-1-yl)benzonitrile
CID 62663101
1-(4-chloro-2-fluorophenyl)-N-(1-methylisoquinolin-5-yl)piperidine-4-carboxamide
CID 11560343
1-(4-cyano-2,6-difluorophenyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 47089927
3-fluoro-4-piperidin-1-ylbenzonitrile
CID 807896
1-(2-cyano-4-nitrophenyl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 18095867
4-[4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]piperidin-1-yl]-3-fluorobenzonitrile
CID 94817550

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyano-2-fluorophenyl)-N-(2-cyclopropyl-3-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-cyano-2-fluorophenyl)-N-(2-cyclopropyl-3-pyridinyl)piperidine-4-carboxamide (CID 155954791) is 1-(4-cyano-2-fluorophenyl)-N-(2-cyclopropyl-3-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-cyano-2-fluorophenyl)-N-(2-cyclopropyl-3-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-cyano-2-fluorophenyl)-N-(2-cyclopropyl-3-pyridinyl)piperidine-4-carboxamide is N#Cc1ccc(N2CCC(C(=O)Nc3cccnc3C3CC3)CC2)c(F)c1.
What is the InChIKey of 1-(4-cyano-2-fluorophenyl)-N-(2-cyclopropyl-3-pyridinyl)piperidine-4-carboxamide?
The InChIKey is VVPCUSDDJQQMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O/c22-17-12-14(13-23)3-6-19(17)26-10-7-16(8-11-26)21(27)25-18-2-1-9-24-20(18)15-4-5-15/h1-3,6,9,12,15-16H,4-5,7-8,10-11H2,(H,25,27).
What are the key properties of 1-(4-cyano-2-fluorophenyl)-N-(2-cyclopropyl-3-pyridinyl)piperidine-4-carboxamide?
1-(4-cyano-2-fluorophenyl)-N-(2-cyclopropyl-3-pyridinyl)piperidine-4-carboxamide has a molecular weight of 364.42 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyano-2-fluorophenyl)-N-(2-cyclopropyl-3-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 155954791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).