4-[[3-(1,1-difluoroethyl)phenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide

C21H23F2N3O — CID 66884378

IUPAC4-[[3-(1,1-difluoroethyl)phenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide
SMILESCC1CN(C(=O)Nc2cccnc2)CCC1=Cc1cccc(C(C)(F)F)c1
InChIInChI=1S/C21H23F2N3O/c1-15-14-26(20(27)25-19-7-4-9-24-13-19)10-8-17(15)11-16-5-3-6-18(12-16)21(2,22)23/h3-7,9,11-13,15H,8,10,14H2,1-2H3,(H,25,27)
InChIKeyBMNKOYVCKFSBOF-UHFFFAOYSA-N
MW371.43 g/mol
LogP5.15
Rot. Bonds3

About 4-[[3-(1,1-difluoroethyl)phenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide

4-[[3-(1,1-difluoroethyl)phenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide (PubChem CID 66884378) has the molecular formula C21H23F2N3O and a molecular weight of 371.43 g/mol. Its IUPAC name is 4-[[3-(1,1-difluoroethyl)phenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[3-(1,1-difluoroethyl)phenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide
PubChem CID66884378
Molecular FormulaC21H23F2N3O
Molecular Weight371.43 g/mol
Exact Mass371.18
IUPAC Name4-[[3-(1,1-difluoroethyl)phenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide
SMILESCC1CN(C(=O)Nc2cccnc2)CCC1=Cc1cccc(C(C)(F)F)c1
InChIInChI=1S/C21H23F2N3O/c1-15-14-26(20(27)25-19-7-4-9-24-13-19)10-8-17(15)11-16-5-3-6-18(12-16)21(2,22)23/h3-7,9,11-13,15H,8,10,14H2,1-2H3,(H,25,27)
InChIKeyBMNKOYVCKFSBOF-UHFFFAOYSA-N
XLogP5.15
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.43
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3-chloro-4-fluorophenyl)methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide
CID 66884636
4-[[3-(5-chloropyrimidin-2-yl)oxyphenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide
CID 66883931
4-[[2-fluoro-3-(trifluoromethyl)phenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide
CID 66884417
4-[[3-[2-(3-fluorophenyl)ethoxy]phenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide
CID 66886122
(4E)-4-[[3-(cyclohex-3-en-1-ylmethoxy)phenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide
CID 67229064
4-[(3-fluorophenyl)methylidene]-3-methyl-N-pyridazin-3-ylpiperidine-1-carboxamide
CID 66883815
3-methyl-N-(5-methyl-3-pyridinyl)-4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide
CID 66885163
4-[[4-fluoro-3-(trifluoromethyl)phenyl]methylidene]-3-methyl-N-pyridazin-3-ylpiperidine-1-carboxamide
CID 66884470
3-methyl-N-(6-methyl-3-pyridinyl)-4-[[3-(1-phenylpropan-2-yloxy)phenyl]methylidene]piperidine-1-carboxamide
CID 66886029
4-[[3-(5-cyclopropylpyrimidin-2-yl)oxyphenyl]methylidene]-3-methyl-N-(5-methyl-3-pyridinyl)piperidine-1-carboxamide
CID 66884842
(4E)-3-methyl-N-pyridazin-3-yl-4-[[3-(4,4,4-trifluoro-2-methylbutoxy)phenyl]methylidene]piperidine-1-carboxamide
CID 66897615
N-(6-cyano-3-pyridinyl)-3-methyl-4-[[3-[(6-methyl-3-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide
CID 66885242

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(1,1-difluoroethyl)phenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide?
The IUPAC name of 4-[[3-(1,1-difluoroethyl)phenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide (CID 66884378) is 4-[[3-(1,1-difluoroethyl)phenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[[3-(1,1-difluoroethyl)phenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide?
The canonical SMILES for 4-[[3-(1,1-difluoroethyl)phenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide is CC1CN(C(=O)Nc2cccnc2)CCC1=Cc1cccc(C(C)(F)F)c1.
What is the InChIKey of 4-[[3-(1,1-difluoroethyl)phenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide?
The InChIKey is BMNKOYVCKFSBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N3O/c1-15-14-26(20(27)25-19-7-4-9-24-13-19)10-8-17(15)11-16-5-3-6-18(12-16)21(2,22)23/h3-7,9,11-13,15H,8,10,14H2,1-2H3,(H,25,27).
What are the key properties of 4-[[3-(1,1-difluoroethyl)phenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide?
4-[[3-(1,1-difluoroethyl)phenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide has a molecular weight of 371.43 g/mol, XLogP of 5.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(1,1-difluoroethyl)phenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide is sourced from PubChem (CID 66884378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).