N,N-diethyl-1-[5-[2-(4-ethyl-2-fluoroanilino)-3,4-difluorophenyl]-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide

C26H30F3N5O2 — CID 10481129

IUPACN,N-diethyl-1-[5-[2-(4-ethyl-2-fluoroanilino)-3,4-difluorophenyl]-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
SMILESCCc1ccc(Nc2c(-c3nnc(N4CCCC(C(=O)N(CC)CC)C4)o3)ccc(F)c2F)c(F)c1
InChIInChI=1S/C26H30F3N5O2/c1-4-16-9-12-21(20(28)14-16)30-23-18(10-11-19(27)22(23)29)24-31-32-26(36-24)34-13-7-8-17(15-34)25(35)33(5-2)6-3/h9-12,14,17,30H,4-8,13,15H2,1-3H3
InChIKeyPEVVVIGPFFDEBQ-UHFFFAOYSA-N
MW501.55 g/mol
LogP5.54
Rot. Bonds8

About N,N-diethyl-1-[5-[2-(4-ethyl-2-fluoroanilino)-3,4-difluorophenyl]-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide

N,N-diethyl-1-[5-[2-(4-ethyl-2-fluoroanilino)-3,4-difluorophenyl]-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide (PubChem CID 10481129) has the molecular formula C26H30F3N5O2 and a molecular weight of 501.55 g/mol. Its IUPAC name is N,N-diethyl-1-[5-[2-(4-ethyl-2-fluoroanilino)-3,4-difluorophenyl]-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-[5-[2-(4-ethyl-2-fluoroanilino)-3,4-difluorophenyl]-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
PubChem CID10481129
Molecular FormulaC26H30F3N5O2
Molecular Weight501.55 g/mol
Exact Mass501.24
IUPAC NameN,N-diethyl-1-[5-[2-(4-ethyl-2-fluoroanilino)-3,4-difluorophenyl]-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
SMILESCCc1ccc(Nc2c(-c3nnc(N4CCCC(C(=O)N(CC)CC)C4)o3)ccc(F)c2F)c(F)c1
InChIInChI=1S/C26H30F3N5O2/c1-4-16-9-12-21(20(28)14-16)30-23-18(10-11-19(27)22(23)29)24-31-32-26(36-24)34-13-7-8-17(15-34)25(35)33(5-2)6-3/h9-12,14,17,30H,4-8,13,15H2,1-3H3
InChIKeyPEVVVIGPFFDEBQ-UHFFFAOYSA-N
XLogP5.54
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.55
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[5-[2-(4-ethyl-2-fluoroanilino)-3,4-difluorophenyl]-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide?
The IUPAC name of N,N-diethyl-1-[5-[2-(4-ethyl-2-fluoroanilino)-3,4-difluorophenyl]-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide (CID 10481129) is N,N-diethyl-1-[5-[2-(4-ethyl-2-fluoroanilino)-3,4-difluorophenyl]-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for N,N-diethyl-1-[5-[2-(4-ethyl-2-fluoroanilino)-3,4-difluorophenyl]-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide?
The canonical SMILES for N,N-diethyl-1-[5-[2-(4-ethyl-2-fluoroanilino)-3,4-difluorophenyl]-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide is CCc1ccc(Nc2c(-c3nnc(N4CCCC(C(=O)N(CC)CC)C4)o3)ccc(F)c2F)c(F)c1.
What is the InChIKey of N,N-diethyl-1-[5-[2-(4-ethyl-2-fluoroanilino)-3,4-difluorophenyl]-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide?
The InChIKey is PEVVVIGPFFDEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F3N5O2/c1-4-16-9-12-21(20(28)14-16)30-23-18(10-11-19(27)22(23)29)24-31-32-26(36-24)34-13-7-8-17(15-34)25(35)33(5-2)6-3/h9-12,14,17,30H,4-8,13,15H2,1-3H3.
What are the key properties of N,N-diethyl-1-[5-[2-(4-ethyl-2-fluoroanilino)-3,4-difluorophenyl]-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide?
N,N-diethyl-1-[5-[2-(4-ethyl-2-fluoroanilino)-3,4-difluorophenyl]-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide has a molecular weight of 501.55 g/mol, XLogP of 5.54, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[5-[2-(4-ethyl-2-fluoroanilino)-3,4-difluorophenyl]-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 10481129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).