benzyl 3,3-dimethyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxylate

C18H23N3O3 — CID 153366924

IUPACbenzyl 3,3-dimethyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxylate
SMILESCc1nnc(N2CCC(C(=O)OCc3ccccc3)C(C)(C)C2)o1
InChIInChI=1S/C18H23N3O3/c1-13-19-20-17(24-13)21-10-9-15(18(2,3)12-21)16(22)23-11-14-7-5-4-6-8-14/h4-8,15H,9-12H2,1-3H3
InChIKeyXLDPPGMYYSXLFF-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.97
Rot. Bonds4

About benzyl 3,3-dimethyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxylate

benzyl 3,3-dimethyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxylate (PubChem CID 153366924) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is benzyl 3,3-dimethyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Namebenzyl 3,3-dimethyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxylate
PubChem CID153366924
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Namebenzyl 3,3-dimethyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxylate
SMILESCc1nnc(N2CCC(C(=O)OCc3ccccc3)C(C)(C)C2)o1
InChIInChI=1S/C18H23N3O3/c1-13-19-20-17(24-13)21-10-9-15(18(2,3)12-21)16(22)23-11-14-7-5-4-6-8-14/h4-8,15H,9-12H2,1-3H3
InChIKeyXLDPPGMYYSXLFF-UHFFFAOYSA-N
XLogP2.97
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl 4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate
CID 19029125
1-(5-methyl-1,3,4-oxadiazol-2-yl)-N-phenylmethoxypiperidin-4-imine
CID 86656705
dibenzyl bicyclo[2.2.2]octane-2,3-dicarboxylate
CID 90715861
5-O-benzyl 8-O-ethyl 2-oxa-5-azaspiro[3.4]octane-5,8-dicarboxylate
CID 138109868
1-amino-2-phenylmethoxycarbonylcyclodecane-1-carboxylic acid
CID 170988150
benzyl (3S)-4-benzyl-6,6-dimethylmorpholine-3-carboxylate
CID 59337560
dibenzyl cyclopentane-1,3-dicarboxylate
CID 90178451
ethyl 5-benzyl-5-azaspiro[2.5]octane-8-carboxylate
CID 135289880
ethyl (4R)-1-benzyl-3,3-difluoropiperidine-4-carboxylate
CID 124709143
benzyl 2-(2-hydroxypropan-2-yl)-1-methylpiperidine-4-carboxylate
CID 174994192
benzyl 1-propanoylpiperidine-4-carboxylate
CID 59047382
benzyl (3S)-1-acetylpyrrolidine-3-carboxylate
CID 157025963

Frequently Asked Questions

What is the IUPAC name of benzyl 3,3-dimethyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxylate?
The IUPAC name of benzyl 3,3-dimethyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxylate (CID 153366924) is benzyl 3,3-dimethyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxylate.
What is the SMILES notation for benzyl 3,3-dimethyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxylate?
The canonical SMILES for benzyl 3,3-dimethyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxylate is Cc1nnc(N2CCC(C(=O)OCc3ccccc3)C(C)(C)C2)o1.
What is the InChIKey of benzyl 3,3-dimethyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxylate?
The InChIKey is XLDPPGMYYSXLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-13-19-20-17(24-13)21-10-9-15(18(2,3)12-21)16(22)23-11-14-7-5-4-6-8-14/h4-8,15H,9-12H2,1-3H3.
What are the key properties of benzyl 3,3-dimethyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxylate?
benzyl 3,3-dimethyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxylate has a molecular weight of 329.40 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3,3-dimethyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxylate is sourced from PubChem (CID 153366924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).