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

C16H19N3O3 — CID 19029125

IUPACbenzyl 4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate
SMILESCc1nnc(C2CCN(C(=O)OCc3ccccc3)CC2)o1
InChIInChI=1S/C16H19N3O3/c1-12-17-18-15(22-12)14-7-9-19(10-8-14)16(20)21-11-13-5-3-2-4-6-13/h2-6,14H,7-11H2,1H3
InChIKeyDXZWVAFVDQFJRQ-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.89
Rot. Bonds3

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

benzyl 4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate (PubChem CID 19029125) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is benzyl 4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate
PubChem CID19029125
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Namebenzyl 4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate
SMILESCc1nnc(C2CCN(C(=O)OCc3ccccc3)CC2)o1
InChIInChI=1S/C16H19N3O3/c1-12-17-18-15(22-12)14-7-9-19(10-8-14)16(20)21-11-13-5-3-2-4-6-13/h2-6,14H,7-11H2,1H3
InChIKeyDXZWVAFVDQFJRQ-UHFFFAOYSA-N
XLogP2.89
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
benzyl 4-(oxiran-2-yl)piperidine-1-carboxylate;ethane
CID 145307834
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 4-(4-carbamoylphenyl)piperidine-1-carboxylate
CID 146167876
benzyl 4-bromopiperidine-1-carboxylate
CID 2776275
benzyl 4-(1-aminopropyl)piperidine-1-carboxylate
CID 154815286
benzyl aziridine-1-carboxylate;silane
CID 158496499
benzyl 4-[3-(1-hydroxyethyl)-5-methylpyridazin-4-yl]piperidine-1-carboxylate
CID 178181433
benzyl 4-(diethoxymethyl)piperidine-1-carboxylate
CID 170639553
benzyl 4-[(propan-2-ylamino)methyl]piperidine-1-carboxylate
CID 66569243
benzyl 3-methylpyrrolidine-1-carboxylate;ethane
CID 164877739
benzyl 4-(3-amino-2H-pyrrol-5-yl)piperidine-1-carboxylate
CID 159280114

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate?
The IUPAC name of benzyl 4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate (CID 19029125) is benzyl 4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate is Cc1nnc(C2CCN(C(=O)OCc3ccccc3)CC2)o1.
What is the InChIKey of benzyl 4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate?
The InChIKey is DXZWVAFVDQFJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-12-17-18-15(22-12)14-7-9-19(10-8-14)16(20)21-11-13-5-3-2-4-6-13/h2-6,14H,7-11H2,1H3.
What are the key properties of benzyl 4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate?
benzyl 4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate has a molecular weight of 301.35 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate is sourced from PubChem (CID 19029125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).