N-[2-(2-fluorophenoxy)ethyl]-N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-4-methylpiperidine-4-carboxamide

C27H29F2N3O2 — CID 121412990

IUPACN-[2-(2-fluorophenoxy)ethyl]-N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-4-methylpiperidine-4-carboxamide
SMILESCC1(C(=O)N(CCOc2ccccc2F)C(c2ccc(F)cc2)c2ccccn2)CCNCC1
InChIInChI=1S/C27H29F2N3O2/c1-27(13-16-30-17-14-27)26(33)32(18-19-34-24-8-3-2-6-22(24)29)25(23-7-4-5-15-31-23)20-9-11-21(28)12-10-20/h2-12,15,25,30H,13-14,16-19H2,1H3
InChIKeyAAQYWAFIUCZNGR-UHFFFAOYSA-N
MW465.54 g/mol
LogP4.75
Rot. Bonds8

About N-[2-(2-fluorophenoxy)ethyl]-N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-4-methylpiperidine-4-carboxamide

N-[2-(2-fluorophenoxy)ethyl]-N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-4-methylpiperidine-4-carboxamide (PubChem CID 121412990) has the molecular formula C27H29F2N3O2 and a molecular weight of 465.54 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)ethyl]-N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-4-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenoxy)ethyl]-N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-4-methylpiperidine-4-carboxamide
PubChem CID121412990
Molecular FormulaC27H29F2N3O2
Molecular Weight465.54 g/mol
Exact Mass465.22
IUPAC NameN-[2-(2-fluorophenoxy)ethyl]-N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-4-methylpiperidine-4-carboxamide
SMILESCC1(C(=O)N(CCOc2ccccc2F)C(c2ccc(F)cc2)c2ccccn2)CCNCC1
InChIInChI=1S/C27H29F2N3O2/c1-27(13-16-30-17-14-27)26(33)32(18-19-34-24-8-3-2-6-22(24)29)25(23-7-4-5-15-31-23)20-9-11-21(28)12-10-20/h2-12,15,25,30H,13-14,16-19H2,1H3
InChIKeyAAQYWAFIUCZNGR-UHFFFAOYSA-N
XLogP4.75
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.54
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-4-methylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-4-methylpiperidine-4-carboxamide (CID 121412990) is N-[2-(2-fluorophenoxy)ethyl]-N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-4-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenoxy)ethyl]-N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-4-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenoxy)ethyl]-N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-4-methylpiperidine-4-carboxamide is CC1(C(=O)N(CCOc2ccccc2F)C(c2ccc(F)cc2)c2ccccn2)CCNCC1.
What is the InChIKey of N-[2-(2-fluorophenoxy)ethyl]-N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-4-methylpiperidine-4-carboxamide?
The InChIKey is AAQYWAFIUCZNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F2N3O2/c1-27(13-16-30-17-14-27)26(33)32(18-19-34-24-8-3-2-6-22(24)29)25(23-7-4-5-15-31-23)20-9-11-21(28)12-10-20/h2-12,15,25,30H,13-14,16-19H2,1H3.
What are the key properties of N-[2-(2-fluorophenoxy)ethyl]-N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-4-methylpiperidine-4-carboxamide?
N-[2-(2-fluorophenoxy)ethyl]-N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-4-methylpiperidine-4-carboxamide has a molecular weight of 465.54 g/mol, XLogP of 4.75, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenoxy)ethyl]-N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-4-methylpiperidine-4-carboxamide is sourced from PubChem (CID 121412990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).