1-[3-(4-ethylphenyl)propanoyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide

C25H31FN2O2 — CID 55778891

IUPAC1-[3-(4-ethylphenyl)propanoyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
SMILESCCc1ccc(CCC(=O)N2CCC(C(=O)NCCc3ccccc3F)CC2)cc1
InChIInChI=1S/C25H31FN2O2/c1-2-19-7-9-20(10-8-19)11-12-24(29)28-17-14-22(15-18-28)25(30)27-16-13-21-5-3-4-6-23(21)26/h3-10,22H,2,11-18H2,1H3,(H,27,30)
InChIKeyXVVAXOIXKXXZPE-UHFFFAOYSA-N
MW410.53 g/mol
LogP3.92
Rot. Bonds8

About 1-[3-(4-ethylphenyl)propanoyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide

1-[3-(4-ethylphenyl)propanoyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide (PubChem CID 55778891) has the molecular formula C25H31FN2O2 and a molecular weight of 410.53 g/mol. Its IUPAC name is 1-[3-(4-ethylphenyl)propanoyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(4-ethylphenyl)propanoyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
PubChem CID55778891
Molecular FormulaC25H31FN2O2
Molecular Weight410.53 g/mol
Exact Mass410.24
IUPAC Name1-[3-(4-ethylphenyl)propanoyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
SMILESCCc1ccc(CCC(=O)N2CCC(C(=O)NCCc3ccccc3F)CC2)cc1
InChIInChI=1S/C25H31FN2O2/c1-2-19-7-9-20(10-8-19)11-12-24(29)28-17-14-22(15-18-28)25(30)27-16-13-21-5-3-4-6-23(21)26/h3-10,22H,2,11-18H2,1H3,(H,27,30)
InChIKeyXVVAXOIXKXXZPE-UHFFFAOYSA-N
XLogP3.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.53
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-1-(3-methylsulfanylpropanoyl)piperidine-4-carboxamide
CID 55778984
1-acetyl-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 9268566
1-[2-(2-fluorophenyl)acetyl]-N-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 113004677
1-(2,2-dimethylpropanoyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 51181932
ethyl 4-[2-(2-fluorophenyl)ethylcarbamoyl]piperidine-1-carboxylate
CID 39709187
methyl 2-[3-[4-[2-(2-fluorophenyl)ethylcarbamoyl]piperidin-1-yl]-3-oxopropyl]sulfanylacetate
CID 56567715
1-(cyclopropanecarbonyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 39713860
N-[2-(2-fluorophenyl)ethyl]-1-[2-(trifluoromethylsulfanyl)acetyl]piperidine-4-carboxamide
CID 55779186
1-N-cyclopropyl-4-N-[2-(2-fluorophenyl)ethyl]piperidine-1,4-dicarboxamide
CID 113004650
3-[[1-(3-phenylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid
CID 119177469
1-(2-cyclopent-2-en-1-ylacetyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 55778987
1-butanoyl-N-[2-(4-chlorophenyl)ethyl]piperidine-4-carboxamide
CID 113005002

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-ethylphenyl)propanoyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-(4-ethylphenyl)propanoyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide (CID 55778891) is 1-[3-(4-ethylphenyl)propanoyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(4-ethylphenyl)propanoyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(4-ethylphenyl)propanoyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide is CCc1ccc(CCC(=O)N2CCC(C(=O)NCCc3ccccc3F)CC2)cc1.
What is the InChIKey of 1-[3-(4-ethylphenyl)propanoyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide?
The InChIKey is XVVAXOIXKXXZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN2O2/c1-2-19-7-9-20(10-8-19)11-12-24(29)28-17-14-22(15-18-28)25(30)27-16-13-21-5-3-4-6-23(21)26/h3-10,22H,2,11-18H2,1H3,(H,27,30).
What are the key properties of 1-[3-(4-ethylphenyl)propanoyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide?
1-[3-(4-ethylphenyl)propanoyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 410.53 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-ethylphenyl)propanoyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 55778891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).