(5-methyl-1,3,4-oxadiazol-2-yl)methyl (2R)-1-[(3-methylphenyl)methyl]piperidine-2-carboxylate

C18H23N3O3 — CID 95346514

IUPAC(5-methyl-1,3,4-oxadiazol-2-yl)methyl (2R)-1-[(3-methylphenyl)methyl]piperidine-2-carboxylate
SMILESCc1cccc(CN2CCCC[C@@H]2C(=O)OCc2nnc(C)o2)c1
InChIInChI=1S/C18H23N3O3/c1-13-6-5-7-15(10-13)11-21-9-4-3-8-16(21)18(22)23-12-17-20-19-14(2)24-17/h5-7,10,16H,3-4,8-9,11-12H2,1-2H3/t16-/m1/s1
InChIKeyCHAWOZJUHZFXSD-MRXNPFEDSA-N
MW329.40 g/mol
LogP2.78
Rot. Bonds5

About (5-methyl-1,3,4-oxadiazol-2-yl)methyl (2R)-1-[(3-methylphenyl)methyl]piperidine-2-carboxylate

(5-methyl-1,3,4-oxadiazol-2-yl)methyl (2R)-1-[(3-methylphenyl)methyl]piperidine-2-carboxylate (PubChem CID 95346514) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is (5-methyl-1,3,4-oxadiazol-2-yl)methyl (2R)-1-[(3-methylphenyl)methyl]piperidine-2-carboxylate.

Molecular Properties

Compound Name(5-methyl-1,3,4-oxadiazol-2-yl)methyl (2R)-1-[(3-methylphenyl)methyl]piperidine-2-carboxylate
PubChem CID95346514
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name(5-methyl-1,3,4-oxadiazol-2-yl)methyl (2R)-1-[(3-methylphenyl)methyl]piperidine-2-carboxylate
SMILESCc1cccc(CN2CCCC[C@@H]2C(=O)OCc2nnc(C)o2)c1
InChIInChI=1S/C18H23N3O3/c1-13-6-5-7-15(10-13)11-21-9-4-3-8-16(21)18(22)23-12-17-20-19-14(2)24-17/h5-7,10,16H,3-4,8-9,11-12H2,1-2H3/t16-/m1/s1
InChIKeyCHAWOZJUHZFXSD-MRXNPFEDSA-N
XLogP2.78
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,3,4-oxadiazol-2-yl)methyl (2R)-1-[(3-methylphenyl)methyl]piperidine-2-carboxylate?
The IUPAC name of (5-methyl-1,3,4-oxadiazol-2-yl)methyl (2R)-1-[(3-methylphenyl)methyl]piperidine-2-carboxylate (CID 95346514) is (5-methyl-1,3,4-oxadiazol-2-yl)methyl (2R)-1-[(3-methylphenyl)methyl]piperidine-2-carboxylate.
What is the SMILES notation for (5-methyl-1,3,4-oxadiazol-2-yl)methyl (2R)-1-[(3-methylphenyl)methyl]piperidine-2-carboxylate?
The canonical SMILES for (5-methyl-1,3,4-oxadiazol-2-yl)methyl (2R)-1-[(3-methylphenyl)methyl]piperidine-2-carboxylate is Cc1cccc(CN2CCCC[C@@H]2C(=O)OCc2nnc(C)o2)c1.
What is the InChIKey of (5-methyl-1,3,4-oxadiazol-2-yl)methyl (2R)-1-[(3-methylphenyl)methyl]piperidine-2-carboxylate?
The InChIKey is CHAWOZJUHZFXSD-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-13-6-5-7-15(10-13)11-21-9-4-3-8-16(21)18(22)23-12-17-20-19-14(2)24-17/h5-7,10,16H,3-4,8-9,11-12H2,1-2H3/t16-/m1/s1.
What are the key properties of (5-methyl-1,3,4-oxadiazol-2-yl)methyl (2R)-1-[(3-methylphenyl)methyl]piperidine-2-carboxylate?
(5-methyl-1,3,4-oxadiazol-2-yl)methyl (2R)-1-[(3-methylphenyl)methyl]piperidine-2-carboxylate has a molecular weight of 329.40 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,3,4-oxadiazol-2-yl)methyl (2R)-1-[(3-methylphenyl)methyl]piperidine-2-carboxylate is sourced from PubChem (CID 95346514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).