benzyl 4-(1-ethoxy-1,4-dioxopentan-2-yl)piperidine-1-carboxylate

C20H27NO5 — CID 67438602

IUPACbenzyl 4-(1-ethoxy-1,4-dioxopentan-2-yl)piperidine-1-carboxylate
SMILESCCOC(=O)C(CC(C)=O)C1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C20H27NO5/c1-3-25-19(23)18(13-15(2)22)17-9-11-21(12-10-17)20(24)26-14-16-7-5-4-6-8-16/h4-8,17-18H,3,9-14H2,1-2H3
InChIKeySDEWWAQLOCNCSG-UHFFFAOYSA-N
MW361.44 g/mol
LogP3.19
Rot. Bonds7

About benzyl 4-(1-ethoxy-1,4-dioxopentan-2-yl)piperidine-1-carboxylate

benzyl 4-(1-ethoxy-1,4-dioxopentan-2-yl)piperidine-1-carboxylate (PubChem CID 67438602) has the molecular formula C20H27NO5 and a molecular weight of 361.44 g/mol. Its IUPAC name is benzyl 4-(1-ethoxy-1,4-dioxopentan-2-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(1-ethoxy-1,4-dioxopentan-2-yl)piperidine-1-carboxylate
PubChem CID67438602
Molecular FormulaC20H27NO5
Molecular Weight361.44 g/mol
Exact Mass361.19
IUPAC Namebenzyl 4-(1-ethoxy-1,4-dioxopentan-2-yl)piperidine-1-carboxylate
SMILESCCOC(=O)C(CC(C)=O)C1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C20H27NO5/c1-3-25-19(23)18(13-15(2)22)17-9-11-21(12-10-17)20(24)26-14-16-7-5-4-6-8-16/h4-8,17-18H,3,9-14H2,1-2H3
InChIKeySDEWWAQLOCNCSG-UHFFFAOYSA-N
XLogP3.19
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl 4-(diethoxymethyl)piperidine-1-carboxylate
CID 170639553
benzyl 4-(1-aminopropyl)piperidine-1-carboxylate
CID 154815286
benzyl 4-[(1S)-1-(chloroamino)ethyl]piperidine-1-carboxylate
CID 126554184
benzyl 4-[(1R)-1-hydroxy-3-methoxy-3-oxopropyl]piperidine-1-carboxylate
CID 97168111
benzyl 4-(1-hydroxy-3-methoxy-3-oxopropyl)piperidine-1-carboxylate
CID 71648259
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
benzyl (3R)-3-[(1S)-1-aminoethyl]pyrrolidine-1-carboxylate
CID 86674568
benzyl 4-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate
CID 14989191
benzyl 4-(5-hydroxy-3-methylpentan-2-yl)piperidine-1-carboxylate
CID 70855943
benzyl 4-(2-amino-1-ethoxy-1,3-dioxobutan-2-yl)piperidine-1-carboxylate
CID 57325282
benzyl 3-(2-amino-3-ethoxy-3-oxopropyl)pyrrolidine-1-carboxylate
CID 170885033
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(1-ethoxy-1,4-dioxopentan-2-yl)piperidine-1-carboxylate?
The IUPAC name of benzyl 4-(1-ethoxy-1,4-dioxopentan-2-yl)piperidine-1-carboxylate (CID 67438602) is benzyl 4-(1-ethoxy-1,4-dioxopentan-2-yl)piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-(1-ethoxy-1,4-dioxopentan-2-yl)piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-(1-ethoxy-1,4-dioxopentan-2-yl)piperidine-1-carboxylate is CCOC(=O)C(CC(C)=O)C1CCN(C(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl 4-(1-ethoxy-1,4-dioxopentan-2-yl)piperidine-1-carboxylate?
The InChIKey is SDEWWAQLOCNCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO5/c1-3-25-19(23)18(13-15(2)22)17-9-11-21(12-10-17)20(24)26-14-16-7-5-4-6-8-16/h4-8,17-18H,3,9-14H2,1-2H3.
What are the key properties of benzyl 4-(1-ethoxy-1,4-dioxopentan-2-yl)piperidine-1-carboxylate?
benzyl 4-(1-ethoxy-1,4-dioxopentan-2-yl)piperidine-1-carboxylate has a molecular weight of 361.44 g/mol, XLogP of 3.19, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(1-ethoxy-1,4-dioxopentan-2-yl)piperidine-1-carboxylate is sourced from PubChem (CID 67438602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).