4-[[3-[2-(3-fluorophenyl)ethoxy]phenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide

C27H28FN3O2 — CID 66886122

IUPAC4-[[3-[2-(3-fluorophenyl)ethoxy]phenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide
SMILESCC1CN(C(=O)Nc2cccnc2)CCC1=Cc1cccc(OCCc2cccc(F)c2)c1
InChIInChI=1S/C27H28FN3O2/c1-20-19-31(27(32)30-25-8-4-12-29-18-25)13-10-23(20)15-22-6-3-9-26(17-22)33-14-11-21-5-2-7-24(28)16-21/h2-9,12,15-18,20H,10-11,13-14,19H2,1H3,(H,30,32)
InChIKeyONFSVYHCMMVCQZ-UHFFFAOYSA-N
MW445.54 g/mol
LogP5.80
Rot. Bonds6

About 4-[[3-[2-(3-fluorophenyl)ethoxy]phenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide

4-[[3-[2-(3-fluorophenyl)ethoxy]phenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide (PubChem CID 66886122) has the molecular formula C27H28FN3O2 and a molecular weight of 445.54 g/mol. Its IUPAC name is 4-[[3-[2-(3-fluorophenyl)ethoxy]phenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[3-[2-(3-fluorophenyl)ethoxy]phenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide
PubChem CID66886122
Molecular FormulaC27H28FN3O2
Molecular Weight445.54 g/mol
Exact Mass445.22
IUPAC Name4-[[3-[2-(3-fluorophenyl)ethoxy]phenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide
SMILESCC1CN(C(=O)Nc2cccnc2)CCC1=Cc1cccc(OCCc2cccc(F)c2)c1
InChIInChI=1S/C27H28FN3O2/c1-20-19-31(27(32)30-25-8-4-12-29-18-25)13-10-23(20)15-22-6-3-9-26(17-22)33-14-11-21-5-2-7-24(28)16-21/h2-9,12,15-18,20H,10-11,13-14,19H2,1H3,(H,30,32)
InChIKeyONFSVYHCMMVCQZ-UHFFFAOYSA-N
XLogP5.80
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.54
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4E)-4-[[3-(cyclohex-3-en-1-ylmethoxy)phenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide
CID 67229064
3-methyl-N-(6-methyl-3-pyridinyl)-4-[[3-(2-thiophen-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide
CID 66885876
4-[[3-(5-chloropyrimidin-2-yl)oxyphenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide
CID 66883931
4-[[3-(1,1-difluoroethyl)phenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide
CID 66884378
N-(4,5-dimethyl-1,2-oxazol-3-yl)-4-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methylidene]-3-methylpiperidine-1-carboxamide
CID 66883851
4-[(3-chloro-4-fluorophenyl)methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide
CID 66884636
3-methyl-N-pyridazin-3-yl-4-[[3-(2-thiophen-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide
CID 66885968
(4E)-N-(4,5-dimethyl-1,2-oxazol-3-yl)-4-[[3-[2-(3-methoxyphenyl)ethoxy]phenyl]methylidene]-3-methylpiperidine-1-carboxamide
CID 66884820
3-methyl-N-(6-methyl-3-pyridinyl)-4-[[3-(1-phenylpropan-2-yloxy)phenyl]methylidene]piperidine-1-carboxamide
CID 66886029
4-[(3-fluorophenyl)methylidene]-3-methyl-N-pyridazin-3-ylpiperidine-1-carboxamide
CID 66883815
4-[[2-fluoro-3-(trifluoromethyl)phenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide
CID 66884417
3-methyl-N-(5-methyl-3-pyridinyl)-4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide
CID 66885163

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[2-(3-fluorophenyl)ethoxy]phenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide?
The IUPAC name of 4-[[3-[2-(3-fluorophenyl)ethoxy]phenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide (CID 66886122) is 4-[[3-[2-(3-fluorophenyl)ethoxy]phenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[[3-[2-(3-fluorophenyl)ethoxy]phenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide?
The canonical SMILES for 4-[[3-[2-(3-fluorophenyl)ethoxy]phenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide is CC1CN(C(=O)Nc2cccnc2)CCC1=Cc1cccc(OCCc2cccc(F)c2)c1.
What is the InChIKey of 4-[[3-[2-(3-fluorophenyl)ethoxy]phenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide?
The InChIKey is ONFSVYHCMMVCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN3O2/c1-20-19-31(27(32)30-25-8-4-12-29-18-25)13-10-23(20)15-22-6-3-9-26(17-22)33-14-11-21-5-2-7-24(28)16-21/h2-9,12,15-18,20H,10-11,13-14,19H2,1H3,(H,30,32).
What are the key properties of 4-[[3-[2-(3-fluorophenyl)ethoxy]phenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide?
4-[[3-[2-(3-fluorophenyl)ethoxy]phenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide has a molecular weight of 445.54 g/mol, XLogP of 5.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[2-(3-fluorophenyl)ethoxy]phenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide is sourced from PubChem (CID 66886122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).