N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-methyl-N-phenylpiperidine-4-carboxamide

C22H23F2N5O2 — CID 126544265

IUPACN-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-methyl-N-phenylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)N(Cc2ccc(-c3nnc(C(F)F)o3)cn2)c2ccccc2)CC1
InChIInChI=1S/C22H23F2N5O2/c1-28-11-9-15(10-12-28)22(30)29(18-5-3-2-4-6-18)14-17-8-7-16(13-25-17)20-26-27-21(31-20)19(23)24/h2-8,13,15,19H,9-12,14H2,1H3
InChIKeyDEOPKJJXERZBAF-UHFFFAOYSA-N
MW427.46 g/mol
LogP3.94
Rot. Bonds6

About N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-methyl-N-phenylpiperidine-4-carboxamide

N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-methyl-N-phenylpiperidine-4-carboxamide (PubChem CID 126544265) has the molecular formula C22H23F2N5O2 and a molecular weight of 427.46 g/mol. Its IUPAC name is N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-methyl-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-methyl-N-phenylpiperidine-4-carboxamide
PubChem CID126544265
Molecular FormulaC22H23F2N5O2
Molecular Weight427.46 g/mol
Exact Mass427.18
IUPAC NameN-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-methyl-N-phenylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)N(Cc2ccc(-c3nnc(C(F)F)o3)cn2)c2ccccc2)CC1
InChIInChI=1S/C22H23F2N5O2/c1-28-11-9-15(10-12-28)22(30)29(18-5-3-2-4-6-18)14-17-8-7-16(13-25-17)20-26-27-21(31-20)19(23)24/h2-8,13,15,19H,9-12,14H2,1H3
InChIKeyDEOPKJJXERZBAF-UHFFFAOYSA-N
XLogP3.94
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-methyl-N-phenylpiperidine-4-carboxamide?
The IUPAC name of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-methyl-N-phenylpiperidine-4-carboxamide (CID 126544265) is N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-methyl-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-methyl-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-methyl-N-phenylpiperidine-4-carboxamide is CN1CCC(C(=O)N(Cc2ccc(-c3nnc(C(F)F)o3)cn2)c2ccccc2)CC1.
What is the InChIKey of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-methyl-N-phenylpiperidine-4-carboxamide?
The InChIKey is DEOPKJJXERZBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N5O2/c1-28-11-9-15(10-12-28)22(30)29(18-5-3-2-4-6-18)14-17-8-7-16(13-25-17)20-26-27-21(31-20)19(23)24/h2-8,13,15,19H,9-12,14H2,1H3.
What are the key properties of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-methyl-N-phenylpiperidine-4-carboxamide?
N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-methyl-N-phenylpiperidine-4-carboxamide has a molecular weight of 427.46 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-methyl-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 126544265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).