1-[2-(3-fluorophenoxy)ethyl]-N-phenylpiperidine-3-carboxamide

C20H23FN2O2 — CID 46444102

IUPAC1-[2-(3-fluorophenoxy)ethyl]-N-phenylpiperidine-3-carboxamide
SMILESO=C(Nc1ccccc1)C1CCCN(CCOc2cccc(F)c2)C1
InChIInChI=1S/C20H23FN2O2/c21-17-7-4-10-19(14-17)25-13-12-23-11-5-6-16(15-23)20(24)22-18-8-2-1-3-9-18/h1-4,7-10,14,16H,5-6,11-13,15H2,(H,22,24)
InChIKeyRYPUBIHFVXDQFH-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.56
Rot. Bonds6

About 1-[2-(3-fluorophenoxy)ethyl]-N-phenylpiperidine-3-carboxamide

1-[2-(3-fluorophenoxy)ethyl]-N-phenylpiperidine-3-carboxamide (PubChem CID 46444102) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 1-[2-(3-fluorophenoxy)ethyl]-N-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(3-fluorophenoxy)ethyl]-N-phenylpiperidine-3-carboxamide
PubChem CID46444102
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name1-[2-(3-fluorophenoxy)ethyl]-N-phenylpiperidine-3-carboxamide
SMILESO=C(Nc1ccccc1)C1CCCN(CCOc2cccc(F)c2)C1
InChIInChI=1S/C20H23FN2O2/c21-17-7-4-10-19(14-17)25-13-12-23-11-5-6-16(15-23)20(24)22-18-8-2-1-3-9-18/h1-4,7-10,14,16H,5-6,11-13,15H2,(H,22,24)
InChIKeyRYPUBIHFVXDQFH-UHFFFAOYSA-N
XLogP3.56
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-cyanophenoxy)ethyl]-N-phenylpiperidine-3-carboxamide
CID 42926355
2-[4-[2-(3-fluorophenoxy)ethyl]piperazin-1-yl]-N-phenylacetamide
CID 36947804
1-[2-(3-fluorophenoxy)ethyl]-N-methylpiperidin-3-amine
CID 119919442
4-[(3S)-3-(phenylcarbamoyl)piperidin-1-yl]butanoic acid
CID 124576176
N-[4-(3-fluorophenyl)phenyl]-1-[2-(1,2,4-triazol-4-yl)ethyl]piperidine-3-carboxamide
CID 72838343
(3R)-1-[5-(3-fluorophenyl)pyrimidin-2-yl]-N-phenylpiperidine-3-carboxamide
CID 95085728
1-[2-(3-bromophenoxy)ethyl]piperidine-3-carboxylic acid
CID 43440742
N-[3-(cyclopropanecarbonylamino)phenyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 47805198
1-(3-fluorophenyl)-3-[[1-[2-(2-phenoxyethoxy)ethyl]piperidin-3-yl]methyl]urea
CID 86904453
(3R)-1-[(3-fluorophenyl)methyl]-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 52819283
1-(2-anilino-2-oxoethyl)-N-phenylpiperidine-3-carboxamide
CID 17496230
1-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide
CID 87015216

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenoxy)ethyl]-N-phenylpiperidine-3-carboxamide?
The IUPAC name of 1-[2-(3-fluorophenoxy)ethyl]-N-phenylpiperidine-3-carboxamide (CID 46444102) is 1-[2-(3-fluorophenoxy)ethyl]-N-phenylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(3-fluorophenoxy)ethyl]-N-phenylpiperidine-3-carboxamide?
The canonical SMILES for 1-[2-(3-fluorophenoxy)ethyl]-N-phenylpiperidine-3-carboxamide is O=C(Nc1ccccc1)C1CCCN(CCOc2cccc(F)c2)C1.
What is the InChIKey of 1-[2-(3-fluorophenoxy)ethyl]-N-phenylpiperidine-3-carboxamide?
The InChIKey is RYPUBIHFVXDQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c21-17-7-4-10-19(14-17)25-13-12-23-11-5-6-16(15-23)20(24)22-18-8-2-1-3-9-18/h1-4,7-10,14,16H,5-6,11-13,15H2,(H,22,24).
What are the key properties of 1-[2-(3-fluorophenoxy)ethyl]-N-phenylpiperidine-3-carboxamide?
1-[2-(3-fluorophenoxy)ethyl]-N-phenylpiperidine-3-carboxamide has a molecular weight of 342.41 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenoxy)ethyl]-N-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 46444102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).