1-(2-cyano-4-fluorophenyl)-N-[2-(ethoxymethyl)phenyl]piperidine-4-carboxamide

C22H24FN3O2 — CID 167954599

IUPAC1-(2-cyano-4-fluorophenyl)-N-[2-(ethoxymethyl)phenyl]piperidine-4-carboxamide
SMILESCCOCc1ccccc1NC(=O)C1CCN(c2ccc(F)cc2C#N)CC1
InChIInChI=1S/C22H24FN3O2/c1-2-28-15-17-5-3-4-6-20(17)25-22(27)16-9-11-26(12-10-16)21-8-7-19(23)13-18(21)14-24/h3-8,13,16H,2,9-12,15H2,1H3,(H,25,27)
InChIKeyYWZTVMUPFDOVBN-UHFFFAOYSA-N
MW381.45 g/mol
LogP4.09
Rot. Bonds6

About 1-(2-cyano-4-fluorophenyl)-N-[2-(ethoxymethyl)phenyl]piperidine-4-carboxamide

1-(2-cyano-4-fluorophenyl)-N-[2-(ethoxymethyl)phenyl]piperidine-4-carboxamide (PubChem CID 167954599) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is 1-(2-cyano-4-fluorophenyl)-N-[2-(ethoxymethyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-cyano-4-fluorophenyl)-N-[2-(ethoxymethyl)phenyl]piperidine-4-carboxamide
PubChem CID167954599
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC Name1-(2-cyano-4-fluorophenyl)-N-[2-(ethoxymethyl)phenyl]piperidine-4-carboxamide
SMILESCCOCc1ccccc1NC(=O)C1CCN(c2ccc(F)cc2C#N)CC1
InChIInChI=1S/C22H24FN3O2/c1-2-28-15-17-5-3-4-6-20(17)25-22(27)16-9-11-26(12-10-16)21-8-7-19(23)13-18(21)14-24/h3-8,13,16H,2,9-12,15H2,1H3,(H,25,27)
InChIKeyYWZTVMUPFDOVBN-UHFFFAOYSA-N
XLogP4.09
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(ethoxymethyl)phenyl]-1-prop-2-ynylpiperidine-4-carboxamide
CID 86850936
methyl 1-(2-cyano-4-fluorophenyl)piperidine-4-carboxylate
CID 63673144
N-(2-ethylphenyl)-1-(2-fluorophenyl)piperidine-4-carboxamide
CID 17152635
1-(3-cyanoquinolin-4-yl)-N-(2-ethylphenyl)piperidine-4-carboxamide
CID 53002444
1-(2-cyano-4-nitrophenyl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 18095867
ethyl 1-(2-cyano-5-fluorophenyl)piperidine-4-carboxylate
CID 171316298
N-benzyl-1-(2-cyano-4-fluorophenyl)-N-[2-(methylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 167874595
N-[1-(3-bromophenyl)-3-propoxypropan-2-yl]-1-(2-cyano-4-fluorophenyl)piperidine-4-carboxamide
CID 167764929
2-(4-acetylpiperazin-1-yl)-5-fluorobenzonitrile
CID 63669542
N-(2-cyanophenyl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide
CID 17223693
1-(2-cyano-4-fluorophenyl)-N-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 167889685
5-fluoro-2-[4-(methoxymethyl)piperidin-1-yl]benzonitrile
CID 63978241

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyano-4-fluorophenyl)-N-[2-(ethoxymethyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-cyano-4-fluorophenyl)-N-[2-(ethoxymethyl)phenyl]piperidine-4-carboxamide (CID 167954599) is 1-(2-cyano-4-fluorophenyl)-N-[2-(ethoxymethyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-cyano-4-fluorophenyl)-N-[2-(ethoxymethyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-cyano-4-fluorophenyl)-N-[2-(ethoxymethyl)phenyl]piperidine-4-carboxamide is CCOCc1ccccc1NC(=O)C1CCN(c2ccc(F)cc2C#N)CC1.
What is the InChIKey of 1-(2-cyano-4-fluorophenyl)-N-[2-(ethoxymethyl)phenyl]piperidine-4-carboxamide?
The InChIKey is YWZTVMUPFDOVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2/c1-2-28-15-17-5-3-4-6-20(17)25-22(27)16-9-11-26(12-10-16)21-8-7-19(23)13-18(21)14-24/h3-8,13,16H,2,9-12,15H2,1H3,(H,25,27).
What are the key properties of 1-(2-cyano-4-fluorophenyl)-N-[2-(ethoxymethyl)phenyl]piperidine-4-carboxamide?
1-(2-cyano-4-fluorophenyl)-N-[2-(ethoxymethyl)phenyl]piperidine-4-carboxamide has a molecular weight of 381.45 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyano-4-fluorophenyl)-N-[2-(ethoxymethyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 167954599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).