N-[(4-ethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide

C22H27FN2O2 — CID 46774647

IUPACN-[(4-ethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
SMILESCCOc1ccc(CNC(=O)C2CCCN(Cc3ccc(F)cc3)C2)cc1
InChIInChI=1S/C22H27FN2O2/c1-2-27-21-11-7-17(8-12-21)14-24-22(26)19-4-3-13-25(16-19)15-18-5-9-20(23)10-6-18/h5-12,19H,2-4,13-16H2,1H3,(H,24,26)
InChIKeyZSJNCLHOTWCRLT-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.75
Rot. Bonds7

About N-[(4-ethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide

N-[(4-ethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide (PubChem CID 46774647) has the molecular formula C22H27FN2O2 and a molecular weight of 370.47 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
PubChem CID46774647
Molecular FormulaC22H27FN2O2
Molecular Weight370.47 g/mol
Exact Mass370.21
IUPAC NameN-[(4-ethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
SMILESCCOc1ccc(CNC(=O)C2CCCN(Cc3ccc(F)cc3)C2)cc1
InChIInChI=1S/C22H27FN2O2/c1-2-27-21-11-7-17(8-12-21)14-24-22(26)19-4-3-13-25(16-19)15-18-5-9-20(23)10-6-18/h5-12,19H,2-4,13-16H2,1H3,(H,24,26)
InChIKeyZSJNCLHOTWCRLT-UHFFFAOYSA-N
XLogP3.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-ethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 46774662
N-[[4-(diethylamino)phenyl]methyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 133210494
N-[(4-ethoxyphenyl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 133168231
(3S)-1-[(4-fluorophenyl)methyl]-N-[(4-piperidin-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 94021500
(3R)-1-[(4-fluorophenyl)methyl]-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 94022035
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-methylpiperidine-3-carboxamide
CID 50874469
1-[(4-fluorophenyl)methyl]-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 133204271
N,1-dibenzylpiperidine-3-carboxamide
CID 43918745
1-(4-fluorobenzoyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 55454977
N-[(4-ethoxyphenyl)methyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930994
(3R)-1-[(4-fluorophenyl)methyl]-N-[(2,3,4-trimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 94015942
1-(4-ethoxyphenyl)sulfonyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 43874935

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide (CID 46774647) is N-[(4-ethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide is CCOc1ccc(CNC(=O)C2CCCN(Cc3ccc(F)cc3)C2)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide?
The InChIKey is ZSJNCLHOTWCRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O2/c1-2-27-21-11-7-17(8-12-21)14-24-22(26)19-4-3-13-25(16-19)15-18-5-9-20(23)10-6-18/h5-12,19H,2-4,13-16H2,1H3,(H,24,26).
What are the key properties of N-[(4-ethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide?
N-[(4-ethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide has a molecular weight of 370.47 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 46774647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).