benzyl 2,3-diacetyloxypiperidine-1-carboxylate

C17H21NO6 — CID 11439064

IUPACbenzyl 2,3-diacetyloxypiperidine-1-carboxylate
SMILESCC(=O)OC1CCCN(C(=O)OCc2ccccc2)C1OC(C)=O
InChIInChI=1S/C17H21NO6/c1-12(19)23-15-9-6-10-18(16(15)24-13(2)20)17(21)22-11-14-7-4-3-5-8-14/h3-5,7-8,15-16H,6,9-11H2,1-2H3
InChIKeyCEEWHAMHKUWUMK-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.24
Rot. Bonds4

About benzyl 2,3-diacetyloxypiperidine-1-carboxylate

benzyl 2,3-diacetyloxypiperidine-1-carboxylate (PubChem CID 11439064) has the molecular formula C17H21NO6 and a molecular weight of 335.36 g/mol. Its IUPAC name is benzyl 2,3-diacetyloxypiperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2,3-diacetyloxypiperidine-1-carboxylate
PubChem CID11439064
Molecular FormulaC17H21NO6
Molecular Weight335.36 g/mol
Exact Mass335.14
IUPAC Namebenzyl 2,3-diacetyloxypiperidine-1-carboxylate
SMILESCC(=O)OC1CCCN(C(=O)OCc2ccccc2)C1OC(C)=O
InChIInChI=1S/C17H21NO6/c1-12(19)23-15-9-6-10-18(16(15)24-13(2)20)17(21)22-11-14-7-4-3-5-8-14/h3-5,7-8,15-16H,6,9-11H2,1-2H3
InChIKeyCEEWHAMHKUWUMK-UHFFFAOYSA-N
XLogP2.24
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Related Compounds

4-Morpholin-4-yl-1-phenylbut-2-ynyl acetate
CID 581744
Ethyl 4-(3-(benzyloxy)-2-hydroxypropyl)piperazine-1-carboxylate hydrochloride
CID 2770557
Ethyl 4-(2-hydroxy-3-(1-phenylpropoxy)propyl)piperazine-1-carboxylate hydrochloride
CID 6603413
(1R,2S)-2-(benzyloxy)-7-oxa-5-aza-bicyclo[3.2.1]octan-6-one
CID 24901100
Benzyl 6-oxo-6-(1,4,7-trioxa-10-azacyclododec-10-yl)hexanoate
CID 3760481
Benzenemethanol, 3-methyl-alpha-((2-(4-morpholinyl)ethoxy)methyl)-, acetate (ester)
CID 3076618
Benzyl 4-methylidenepiperidine-1-carboxylate
CID 15519136
n-Cbz-3-hydroxypiperidine
CID 561665
(R)-Benzyl 3-hydroxypiperidine-1-carboxylate
CID 6932652
tert-Butyl 4-(benzyloxy)piperidine-1-carboxylate
CID 11694980
Benzyl 4-(2-ethoxy-2-oxoethylidene)piperidine-1-carboxylate
CID 12954053
3-(Benzyloxycarbonyl-ethoxycarbonylmethyl-amino)-propionic acid ethyl ester
CID 54758795

Frequently Asked Questions

What is the IUPAC name of benzyl 2,3-diacetyloxypiperidine-1-carboxylate?
The IUPAC name of benzyl 2,3-diacetyloxypiperidine-1-carboxylate (CID 11439064) is benzyl 2,3-diacetyloxypiperidine-1-carboxylate.
What is the SMILES notation for benzyl 2,3-diacetyloxypiperidine-1-carboxylate?
The canonical SMILES for benzyl 2,3-diacetyloxypiperidine-1-carboxylate is CC(=O)OC1CCCN(C(=O)OCc2ccccc2)C1OC(C)=O.
What is the InChIKey of benzyl 2,3-diacetyloxypiperidine-1-carboxylate?
The InChIKey is CEEWHAMHKUWUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO6/c1-12(19)23-15-9-6-10-18(16(15)24-13(2)20)17(21)22-11-14-7-4-3-5-8-14/h3-5,7-8,15-16H,6,9-11H2,1-2H3.
What are the key properties of benzyl 2,3-diacetyloxypiperidine-1-carboxylate?
benzyl 2,3-diacetyloxypiperidine-1-carboxylate has a molecular weight of 335.36 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2,3-diacetyloxypiperidine-1-carboxylate is sourced from PubChem (CID 11439064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).