N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-ethyl-4-fluoro-N-(3-fluorophenyl)piperidine-4-carboxamide

C23H23F4N5O2 — CID 156891692

IUPACN-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-ethyl-4-fluoro-N-(3-fluorophenyl)piperidine-4-carboxamide
SMILESCCN1CCC(F)(C(=O)N(Cc2ccc(-c3nnc(C(F)F)o3)cn2)c2cccc(F)c2)CC1
InChIInChI=1S/C23H23F4N5O2/c1-2-31-10-8-23(27,9-11-31)22(33)32(18-5-3-4-16(24)12-18)14-17-7-6-15(13-28-17)20-29-30-21(34-20)19(25)26/h3-7,12-13,19H,2,8-11,14H2,1H3
InChIKeyZDIQGEICJCGJPE-UHFFFAOYSA-N
MW477.46 g/mol
LogP4.57
Rot. Bonds7

About N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-ethyl-4-fluoro-N-(3-fluorophenyl)piperidine-4-carboxamide

N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-ethyl-4-fluoro-N-(3-fluorophenyl)piperidine-4-carboxamide (PubChem CID 156891692) has the molecular formula C23H23F4N5O2 and a molecular weight of 477.46 g/mol. Its IUPAC name is N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-ethyl-4-fluoro-N-(3-fluorophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-ethyl-4-fluoro-N-(3-fluorophenyl)piperidine-4-carboxamide
PubChem CID156891692
Molecular FormulaC23H23F4N5O2
Molecular Weight477.46 g/mol
Exact Mass477.18
IUPAC NameN-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-ethyl-4-fluoro-N-(3-fluorophenyl)piperidine-4-carboxamide
SMILESCCN1CCC(F)(C(=O)N(Cc2ccc(-c3nnc(C(F)F)o3)cn2)c2cccc(F)c2)CC1
InChIInChI=1S/C23H23F4N5O2/c1-2-31-10-8-23(27,9-11-31)22(33)32(18-5-3-4-16(24)12-18)14-17-7-6-15(13-28-17)20-29-30-21(34-20)19(25)26/h3-7,12-13,19H,2,8-11,14H2,1H3
InChIKeyZDIQGEICJCGJPE-UHFFFAOYSA-N
XLogP4.57
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.46
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-4-ethyl-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 140894985
N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-4-fluoro-N-(3-fluorophenyl)piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 175460662
N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3-fluoro-N-(3-fluorophenyl)-1-(oxan-4-yl)azetidine-3-carboxamide
CID 156891732
N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3-fluoro-N-(3-fluorophenyl)-1-[1-(oxetan-3-yl)azetidin-3-yl]azetidine-3-carboxamide
CID 156891752
N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1-ethyl-4-fluoro-N-phenylpiperidine-4-carboxamide
CID 156891786
tert-butyl 4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl-phenylcarbamoyl]-4-fluoropiperidine-1-carboxylate
CID 156891686
N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-1-ethyl-N-(3-fluorophenyl)piperidine-4-carboxamide;N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-ethyl-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 161101716
N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-2-fluoro-N-(3-fluorophenyl)-3-(1-hydroxypropan-2-ylamino)-2-methylpropanamide
CID 169040935
N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-1-ethyl-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 156840659
N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3-(3,3-difluoropyrrolidin-1-yl)-N-phenylpropane-1-sulfonamide
CID 126508054
2-(difluoromethyl)-5-[6-[[4-(1-ethyl-4-fluoropiperidin-4-yl)triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 162443586
N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[3-(4-methylpiperazin-1-yl)phenyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 140894577

Frequently Asked Questions

What is the IUPAC name of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-ethyl-4-fluoro-N-(3-fluorophenyl)piperidine-4-carboxamide?
The IUPAC name of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-ethyl-4-fluoro-N-(3-fluorophenyl)piperidine-4-carboxamide (CID 156891692) is N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-ethyl-4-fluoro-N-(3-fluorophenyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-ethyl-4-fluoro-N-(3-fluorophenyl)piperidine-4-carboxamide?
The canonical SMILES for N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-ethyl-4-fluoro-N-(3-fluorophenyl)piperidine-4-carboxamide is CCN1CCC(F)(C(=O)N(Cc2ccc(-c3nnc(C(F)F)o3)cn2)c2cccc(F)c2)CC1.
What is the InChIKey of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-ethyl-4-fluoro-N-(3-fluorophenyl)piperidine-4-carboxamide?
The InChIKey is ZDIQGEICJCGJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F4N5O2/c1-2-31-10-8-23(27,9-11-31)22(33)32(18-5-3-4-16(24)12-18)14-17-7-6-15(13-28-17)20-29-30-21(34-20)19(25)26/h3-7,12-13,19H,2,8-11,14H2,1H3.
What are the key properties of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-ethyl-4-fluoro-N-(3-fluorophenyl)piperidine-4-carboxamide?
N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-ethyl-4-fluoro-N-(3-fluorophenyl)piperidine-4-carboxamide has a molecular weight of 477.46 g/mol, XLogP of 4.57, 7 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-ethyl-4-fluoro-N-(3-fluorophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 156891692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).