4-[(4-chloro-2-fluorophenyl)methylidene]-3-(2-ethyl-4-pyridinyl)piperidine-1-carboxamide

C20H21ClFN3O — CID 153409551

IUPAC4-[(4-chloro-2-fluorophenyl)methylidene]-3-(2-ethyl-4-pyridinyl)piperidine-1-carboxamide
SMILESCCc1cc(C2CN(C(N)=O)CCC2=Cc2ccc(Cl)cc2F)ccn1
InChIInChI=1S/C20H21ClFN3O/c1-2-17-10-13(5-7-24-17)18-12-25(20(23)26)8-6-14(18)9-15-3-4-16(21)11-19(15)22/h3-5,7,9-11,18H,2,6,8,12H2,1H3,(H2,23,26)
InChIKeyNZEOSTBSSZNSTG-UHFFFAOYSA-N
MW373.86 g/mol
LogP4.39
Rot. Bonds3

About 4-[(4-chloro-2-fluorophenyl)methylidene]-3-(2-ethyl-4-pyridinyl)piperidine-1-carboxamide

4-[(4-chloro-2-fluorophenyl)methylidene]-3-(2-ethyl-4-pyridinyl)piperidine-1-carboxamide (PubChem CID 153409551) has the molecular formula C20H21ClFN3O and a molecular weight of 373.86 g/mol. Its IUPAC name is 4-[(4-chloro-2-fluorophenyl)methylidene]-3-(2-ethyl-4-pyridinyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(4-chloro-2-fluorophenyl)methylidene]-3-(2-ethyl-4-pyridinyl)piperidine-1-carboxamide
PubChem CID153409551
Molecular FormulaC20H21ClFN3O
Molecular Weight373.86 g/mol
Exact Mass373.14
IUPAC Name4-[(4-chloro-2-fluorophenyl)methylidene]-3-(2-ethyl-4-pyridinyl)piperidine-1-carboxamide
SMILESCCc1cc(C2CN(C(N)=O)CCC2=Cc2ccc(Cl)cc2F)ccn1
InChIInChI=1S/C20H21ClFN3O/c1-2-17-10-13(5-7-24-17)18-12-25(20(23)26)8-6-14(18)9-15-3-4-16(21)11-19(15)22/h3-5,7,9-11,18H,2,6,8,12H2,1H3,(H2,23,26)
InChIKeyNZEOSTBSSZNSTG-UHFFFAOYSA-N
XLogP4.39
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.86
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-2-fluorophenyl)methylidene]-3-(2-ethyl-4-pyridinyl)piperidine-1-carboxamide?
The IUPAC name of 4-[(4-chloro-2-fluorophenyl)methylidene]-3-(2-ethyl-4-pyridinyl)piperidine-1-carboxamide (CID 153409551) is 4-[(4-chloro-2-fluorophenyl)methylidene]-3-(2-ethyl-4-pyridinyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[(4-chloro-2-fluorophenyl)methylidene]-3-(2-ethyl-4-pyridinyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[(4-chloro-2-fluorophenyl)methylidene]-3-(2-ethyl-4-pyridinyl)piperidine-1-carboxamide is CCc1cc(C2CN(C(N)=O)CCC2=Cc2ccc(Cl)cc2F)ccn1.
What is the InChIKey of 4-[(4-chloro-2-fluorophenyl)methylidene]-3-(2-ethyl-4-pyridinyl)piperidine-1-carboxamide?
The InChIKey is NZEOSTBSSZNSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClFN3O/c1-2-17-10-13(5-7-24-17)18-12-25(20(23)26)8-6-14(18)9-15-3-4-16(21)11-19(15)22/h3-5,7,9-11,18H,2,6,8,12H2,1H3,(H2,23,26).
What are the key properties of 4-[(4-chloro-2-fluorophenyl)methylidene]-3-(2-ethyl-4-pyridinyl)piperidine-1-carboxamide?
4-[(4-chloro-2-fluorophenyl)methylidene]-3-(2-ethyl-4-pyridinyl)piperidine-1-carboxamide has a molecular weight of 373.86 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-2-fluorophenyl)methylidene]-3-(2-ethyl-4-pyridinyl)piperidine-1-carboxamide is sourced from PubChem (CID 153409551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).