N-[2-(3-fluorophenyl)ethyl]-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide

C23H27FN2O2 — CID 24816629

IUPACN-[2-(3-fluorophenyl)ethyl]-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide
SMILESO=C(NCCc1cccc(F)c1)C1CCC(=O)N(CCCc2ccccc2)C1
InChIInChI=1S/C23H27FN2O2/c24-21-10-4-8-19(16-21)13-14-25-23(28)20-11-12-22(27)26(17-20)15-5-9-18-6-2-1-3-7-18/h1-4,6-8,10,16,20H,5,9,11-15,17H2,(H,25,28)
InChIKeyUANBACZQPFMSPE-UHFFFAOYSA-N
MW382.48 g/mol
LogP3.36
Rot. Bonds8

About N-[2-(3-fluorophenyl)ethyl]-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide

N-[2-(3-fluorophenyl)ethyl]-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide (PubChem CID 24816629) has the molecular formula C23H27FN2O2 and a molecular weight of 382.48 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)ethyl]-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)ethyl]-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide
PubChem CID24816629
Molecular FormulaC23H27FN2O2
Molecular Weight382.48 g/mol
Exact Mass382.21
IUPAC NameN-[2-(3-fluorophenyl)ethyl]-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide
SMILESO=C(NCCc1cccc(F)c1)C1CCC(=O)N(CCCc2ccccc2)C1
InChIInChI=1S/C23H27FN2O2/c24-21-10-4-8-19(16-21)13-14-25-23(28)20-11-12-22(27)26(17-20)15-5-9-18-6-2-1-3-7-18/h1-4,6-8,10,16,20H,5,9,11-15,17H2,(H,25,28)
InChIKeyUANBACZQPFMSPE-UHFFFAOYSA-N
XLogP3.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)ethyl]-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide?
The IUPAC name of N-[2-(3-fluorophenyl)ethyl]-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide (CID 24816629) is N-[2-(3-fluorophenyl)ethyl]-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)ethyl]-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide?
The canonical SMILES for N-[2-(3-fluorophenyl)ethyl]-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide is O=C(NCCc1cccc(F)c1)C1CCC(=O)N(CCCc2ccccc2)C1.
What is the InChIKey of N-[2-(3-fluorophenyl)ethyl]-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide?
The InChIKey is UANBACZQPFMSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O2/c24-21-10-4-8-19(16-21)13-14-25-23(28)20-11-12-22(27)26(17-20)15-5-9-18-6-2-1-3-7-18/h1-4,6-8,10,16,20H,5,9,11-15,17H2,(H,25,28).
What are the key properties of N-[2-(3-fluorophenyl)ethyl]-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide?
N-[2-(3-fluorophenyl)ethyl]-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide has a molecular weight of 382.48 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)ethyl]-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 24816629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).