1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-3-[2-[(5-methyltetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl]propan-1-one

C21H24F3N7O2 — CID 90646204

IUPAC1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-3-[2-[(5-methyltetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl]propan-1-one
SMILESCc1nnn(Cc2cc(C(F)(F)F)ccc2CCC(=O)N2CCC(c3nnc(C)o3)CC2)n1
InChIInChI=1S/C21H24F3N7O2/c1-13-25-29-31(28-13)12-17-11-18(21(22,23)24)5-3-15(17)4-6-19(32)30-9-7-16(8-10-30)20-27-26-14(2)33-20/h3,5,11,16H,4,6-10,12H2,1-2H3
InChIKeyORGCEFPTPLKKIF-UHFFFAOYSA-N
MW463.46 g/mol
LogP3.08
Rot. Bonds6

About 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-3-[2-[(5-methyltetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl]propan-1-one

1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-3-[2-[(5-methyltetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl]propan-1-one (PubChem CID 90646204) has the molecular formula C21H24F3N7O2 and a molecular weight of 463.46 g/mol. Its IUPAC name is 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-3-[2-[(5-methyltetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-3-[2-[(5-methyltetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl]propan-1-one
PubChem CID90646204
Molecular FormulaC21H24F3N7O2
Molecular Weight463.46 g/mol
Exact Mass463.19
IUPAC Name1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-3-[2-[(5-methyltetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl]propan-1-one
SMILESCc1nnn(Cc2cc(C(F)(F)F)ccc2CCC(=O)N2CCC(c3nnc(C)o3)CC2)n1
InChIInChI=1S/C21H24F3N7O2/c1-13-25-29-31(28-13)12-17-11-18(21(22,23)24)5-3-15(17)4-6-19(32)30-9-7-16(8-10-30)20-27-26-14(2)33-20/h3,5,11,16H,4,6-10,12H2,1-2H3
InChIKeyORGCEFPTPLKKIF-UHFFFAOYSA-N
XLogP3.08
TPSA102.83 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.46
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-3-[2-[(5-methyltetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl]propan-1-one with MolForge

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Related Compounds

ATX inhibitor 7
CID 117822197
(E)-3-(4-Fluoro-2-((5-methyl-2H-tetrazol-2-yl)methyl)phenyl)-1-(4-((5-methyl-1,3,4-oxadiazol-2-yl)methyl)piperidin-1-yl)prop-2-en-1-one
CID 90646205
(E)-3-(4,5-Difluoro-2-((5-methyl-2H-tetrazol-2-yl)methyl)phenyl)-1-(4-((5-methyl-1,3,4-oxadiazol-2-yl)methyl)piperidin-1-yl)prop-2-en-1-one
CID 90646206
(E)-3-(2-Fluoro-6-((5-methyl-2H-tetrazol-2-yl)methyl)phenyl)-1-(4-((5-methyl-1,3,4-oxadiazol-2-yl)methyl)piperidin-1-yl)prop-2-en-1-one
CID 90646291
(E)-Methyl 1-(3-(2-((5-methyl-2H-tetrazol-2-yl)methyl)-4-(trifluoromethyl)phenyl) acryloyl)piperidine-4-carboxylate
CID 90646385
(E)-1-(4-(5-Cyclopropyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl)-3-(2-((5-methyl-2H-tetrazol-2-yl)methyl)-4-(trifluoromethyl)phenyl)prop-2-en-1-one
CID 90646578
(E)-1-(4-(5-Ethyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl)-3-(2-((5-methyl-2H-tetrazol-2-yl)methyl)-4-(trifluoromethyl)phenyl)prop-2-en-1-one
CID 90646670
(E)-1-(4-(5-Cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl)-3-(2-((5-methyl-2H-tetrazol-2-yl)methyl)-4-(trifluoromethyl)phenyl)prop-2-en-1-one
CID 90646873
(E)-1-(1-(3-(2-((5-Methyl-2H-tetrazol-2-yl)methyl)-4-(trifluoromethyl)phenyl) acryloyl)piperidin-4-yl)pyrrolidin-2-one
CID 117822080
(E)-1-(4-(Methoxymethyl)piperidin-1-yl)-3-(2-((5-methyl-2H-tetrazol-2-yl)methyl)-4-(trifluoromethyl)phenyl)prop-2-en-1-one
CID 117822285
(E)-1-(4-((5-Methyl-1,3,4-oxadiazol-2-yl)methyl)piperidin-1-yl)-3-(2-((5-methyl-2H-tetrazol-2-yl)methyl)-4-(trifluoromethyl)phenyl)prop-2-en-1-one
CID 117822459
(E)-3-(4-(Difluoromethyl)-2-((5-methyl-2H-tetrazol-2-yl)methyl)phenyl)-1-(4-((5-methyl-1,3,4-oxadiazol-2-yl)methyl)piperidin-1-yl)prop-2-en-1-one
CID 117822571

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-3-[2-[(5-methyltetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl]propan-1-one?
The IUPAC name of 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-3-[2-[(5-methyltetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl]propan-1-one (CID 90646204) is 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-3-[2-[(5-methyltetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl]propan-1-one.
What is the SMILES notation for 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-3-[2-[(5-methyltetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl]propan-1-one?
The canonical SMILES for 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-3-[2-[(5-methyltetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl]propan-1-one is Cc1nnn(Cc2cc(C(F)(F)F)ccc2CCC(=O)N2CCC(c3nnc(C)o3)CC2)n1.
What is the InChIKey of 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-3-[2-[(5-methyltetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl]propan-1-one?
The InChIKey is ORGCEFPTPLKKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N7O2/c1-13-25-29-31(28-13)12-17-11-18(21(22,23)24)5-3-15(17)4-6-19(32)30-9-7-16(8-10-30)20-27-26-14(2)33-20/h3,5,11,16H,4,6-10,12H2,1-2H3.
What are the key properties of 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-3-[2-[(5-methyltetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl]propan-1-one?
1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-3-[2-[(5-methyltetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl]propan-1-one has a molecular weight of 463.46 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-3-[2-[(5-methyltetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl]propan-1-one is sourced from PubChem (CID 90646204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).