N-[2-(2,4-difluorophenyl)ethyl]-4-ethoxypiperidine-1-carboxamide

C16H22F2N2O2 — CID 56788233

IUPACN-[2-(2,4-difluorophenyl)ethyl]-4-ethoxypiperidine-1-carboxamide
SMILESCCOC1CCN(C(=O)NCCc2ccc(F)cc2F)CC1
InChIInChI=1S/C16H22F2N2O2/c1-2-22-14-6-9-20(10-7-14)16(21)19-8-5-12-3-4-13(17)11-15(12)18/h3-4,11,14H,2,5-10H2,1H3,(H,19,21)
InChIKeyPJNGNYMVRQWDQK-UHFFFAOYSA-N
MW312.36 g/mol
LogP2.72
Rot. Bonds5

About N-[2-(2,4-difluorophenyl)ethyl]-4-ethoxypiperidine-1-carboxamide

N-[2-(2,4-difluorophenyl)ethyl]-4-ethoxypiperidine-1-carboxamide (PubChem CID 56788233) has the molecular formula C16H22F2N2O2 and a molecular weight of 312.36 g/mol. Its IUPAC name is N-[2-(2,4-difluorophenyl)ethyl]-4-ethoxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-difluorophenyl)ethyl]-4-ethoxypiperidine-1-carboxamide
PubChem CID56788233
Molecular FormulaC16H22F2N2O2
Molecular Weight312.36 g/mol
Exact Mass312.16
IUPAC NameN-[2-(2,4-difluorophenyl)ethyl]-4-ethoxypiperidine-1-carboxamide
SMILESCCOC1CCN(C(=O)NCCc2ccc(F)cc2F)CC1
InChIInChI=1S/C16H22F2N2O2/c1-2-22-14-6-9-20(10-7-14)16(21)19-8-5-12-3-4-13(17)11-15(12)18/h3-4,11,14H,2,5-10H2,1H3,(H,19,21)
InChIKeyPJNGNYMVRQWDQK-UHFFFAOYSA-N
XLogP2.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-difluorophenyl)ethyl]-4-ethoxypiperidine-1-carboxamide?
The IUPAC name of N-[2-(2,4-difluorophenyl)ethyl]-4-ethoxypiperidine-1-carboxamide (CID 56788233) is N-[2-(2,4-difluorophenyl)ethyl]-4-ethoxypiperidine-1-carboxamide.
What is the SMILES notation for N-[2-(2,4-difluorophenyl)ethyl]-4-ethoxypiperidine-1-carboxamide?
The canonical SMILES for N-[2-(2,4-difluorophenyl)ethyl]-4-ethoxypiperidine-1-carboxamide is CCOC1CCN(C(=O)NCCc2ccc(F)cc2F)CC1.
What is the InChIKey of N-[2-(2,4-difluorophenyl)ethyl]-4-ethoxypiperidine-1-carboxamide?
The InChIKey is PJNGNYMVRQWDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O2/c1-2-22-14-6-9-20(10-7-14)16(21)19-8-5-12-3-4-13(17)11-15(12)18/h3-4,11,14H,2,5-10H2,1H3,(H,19,21).
What are the key properties of N-[2-(2,4-difluorophenyl)ethyl]-4-ethoxypiperidine-1-carboxamide?
N-[2-(2,4-difluorophenyl)ethyl]-4-ethoxypiperidine-1-carboxamide has a molecular weight of 312.36 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-difluorophenyl)ethyl]-4-ethoxypiperidine-1-carboxamide is sourced from PubChem (CID 56788233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).