N-[2-(4-fluorophenyl)ethyl]-1-(oxane-4-carbonyl)piperidine-4-carboxamide

C20H27FN2O3 — CID 113004684

IUPACN-[2-(4-fluorophenyl)ethyl]-1-(oxane-4-carbonyl)piperidine-4-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)C1CCN(C(=O)C2CCOCC2)CC1
InChIInChI=1S/C20H27FN2O3/c21-18-3-1-15(2-4-18)5-10-22-19(24)16-6-11-23(12-7-16)20(25)17-8-13-26-14-9-17/h1-4,16-17H,5-14H2,(H,22,24)
InChIKeyDACUPKDIAKXKTJ-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.15
Rot. Bonds5

About N-[2-(4-fluorophenyl)ethyl]-1-(oxane-4-carbonyl)piperidine-4-carboxamide

N-[2-(4-fluorophenyl)ethyl]-1-(oxane-4-carbonyl)piperidine-4-carboxamide (PubChem CID 113004684) has the molecular formula C20H27FN2O3 and a molecular weight of 362.45 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-1-(oxane-4-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-1-(oxane-4-carbonyl)piperidine-4-carboxamide
PubChem CID113004684
Molecular FormulaC20H27FN2O3
Molecular Weight362.45 g/mol
Exact Mass362.20
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-1-(oxane-4-carbonyl)piperidine-4-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)C1CCN(C(=O)C2CCOCC2)CC1
InChIInChI=1S/C20H27FN2O3/c21-18-3-1-15(2-4-18)5-10-22-19(24)16-6-11-23(12-7-16)20(25)17-8-13-26-14-9-17/h1-4,16-17H,5-14H2,(H,22,24)
InChIKeyDACUPKDIAKXKTJ-UHFFFAOYSA-N
XLogP2.15
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146241
N-[2-(4-tert-butylphenyl)ethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 46442102
1-[4-[(3S)-3,4-bis[2-(4-fluorophenyl)ethylcarbamoyl]pyrrolidine-1-carbonyl]cyclohexanecarbonyl]-3-N,4-N-bis[2-(4-fluorophenyl)ethyl]pyrrolidine-3,4-dicarboxamide
CID 145434388
1-[2-(2-fluorophenyl)acetyl]-N-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 113004677
N-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 16769811
N-[2-(4-fluorophenyl)ethyl]-1-methylpyrrolidine-3-carboxamide
CID 110852538
N-[2-(4-fluorophenyl)ethyl]-2-[4-(oxolane-3-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 137334203
N-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119263949
1-(cyclopropanecarbonyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 39713860
N-[(4-fluorophenyl)methyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 113004216
1-[1-(cyclobutanecarbonyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 42881329
4-(2,3-dihydroindole-1-carbonyl)-N-[2-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 109149108

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-1-(oxane-4-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-1-(oxane-4-carbonyl)piperidine-4-carboxamide (CID 113004684) is N-[2-(4-fluorophenyl)ethyl]-1-(oxane-4-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-1-(oxane-4-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-1-(oxane-4-carbonyl)piperidine-4-carboxamide is O=C(NCCc1ccc(F)cc1)C1CCN(C(=O)C2CCOCC2)CC1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-1-(oxane-4-carbonyl)piperidine-4-carboxamide?
The InChIKey is DACUPKDIAKXKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2O3/c21-18-3-1-15(2-4-18)5-10-22-19(24)16-6-11-23(12-7-16)20(25)17-8-13-26-14-9-17/h1-4,16-17H,5-14H2,(H,22,24).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-1-(oxane-4-carbonyl)piperidine-4-carboxamide?
N-[2-(4-fluorophenyl)ethyl]-1-(oxane-4-carbonyl)piperidine-4-carboxamide has a molecular weight of 362.45 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-1-(oxane-4-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 113004684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).