benzyl 4-(2-amino-1-ethoxy-1,3-dioxobutan-2-yl)piperidine-1-carboxylate

C19H26N2O5 — CID 57325282

IUPACbenzyl 4-(2-amino-1-ethoxy-1,3-dioxobutan-2-yl)piperidine-1-carboxylate
SMILESCCOC(=O)C(N)(C(C)=O)C1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C19H26N2O5/c1-3-25-17(23)19(20,14(2)22)16-9-11-21(12-10-16)18(24)26-13-15-7-5-4-6-8-15/h4-8,16H,3,9-13,20H2,1-2H3
InChIKeySSONOMAYOBBYSW-UHFFFAOYSA-N
MW362.43 g/mol
LogP1.88
Rot. Bonds6

About benzyl 4-(2-amino-1-ethoxy-1,3-dioxobutan-2-yl)piperidine-1-carboxylate

benzyl 4-(2-amino-1-ethoxy-1,3-dioxobutan-2-yl)piperidine-1-carboxylate (PubChem CID 57325282) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is benzyl 4-(2-amino-1-ethoxy-1,3-dioxobutan-2-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(2-amino-1-ethoxy-1,3-dioxobutan-2-yl)piperidine-1-carboxylate
PubChem CID57325282
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC Namebenzyl 4-(2-amino-1-ethoxy-1,3-dioxobutan-2-yl)piperidine-1-carboxylate
SMILESCCOC(=O)C(N)(C(C)=O)C1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C19H26N2O5/c1-3-25-17(23)19(20,14(2)22)16-9-11-21(12-10-16)18(24)26-13-15-7-5-4-6-8-15/h4-8,16H,3,9-13,20H2,1-2H3
InChIKeySSONOMAYOBBYSW-UHFFFAOYSA-N
XLogP1.88
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

benzyl 4-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate
CID 14989191
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
benzyl 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate
CID 10549065
benzyl 4-(1-ethoxy-1,4-dioxopentan-2-yl)piperidine-1-carboxylate
CID 67438602
benzyl 4-(diethoxymethyl)piperidine-1-carboxylate
CID 170639553
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
ethyl 4-tritylpiperidine-1-carboxylate
CID 22911669
benzyl 4-bromopiperidine-1-carboxylate
CID 2776275
benzyl 4-(1-aminopropyl)piperidine-1-carboxylate
CID 154815286
benzyl 4-[acetyl(methyl)amino]piperidine-1-carboxylate
CID 23369982
benzyl 4-(2-aminoethyl)piperidine-1-carboxylate
CID 22405759
benzyl 4-[1,3-dihydroxy-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propan-2-yl]piperidine-1-carboxylate
CID 177118557

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(2-amino-1-ethoxy-1,3-dioxobutan-2-yl)piperidine-1-carboxylate?
The IUPAC name of benzyl 4-(2-amino-1-ethoxy-1,3-dioxobutan-2-yl)piperidine-1-carboxylate (CID 57325282) is benzyl 4-(2-amino-1-ethoxy-1,3-dioxobutan-2-yl)piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-(2-amino-1-ethoxy-1,3-dioxobutan-2-yl)piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-(2-amino-1-ethoxy-1,3-dioxobutan-2-yl)piperidine-1-carboxylate is CCOC(=O)C(N)(C(C)=O)C1CCN(C(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl 4-(2-amino-1-ethoxy-1,3-dioxobutan-2-yl)piperidine-1-carboxylate?
The InChIKey is SSONOMAYOBBYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5/c1-3-25-17(23)19(20,14(2)22)16-9-11-21(12-10-16)18(24)26-13-15-7-5-4-6-8-15/h4-8,16H,3,9-13,20H2,1-2H3.
What are the key properties of benzyl 4-(2-amino-1-ethoxy-1,3-dioxobutan-2-yl)piperidine-1-carboxylate?
benzyl 4-(2-amino-1-ethoxy-1,3-dioxobutan-2-yl)piperidine-1-carboxylate has a molecular weight of 362.43 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(2-amino-1-ethoxy-1,3-dioxobutan-2-yl)piperidine-1-carboxylate is sourced from PubChem (CID 57325282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).