benzyl 4-[(2-methoxy-2-oxoethyl)carbamoyl]piperidine-1-carboxylate

C17H22N2O5 — CID 3776046

IUPACbenzyl 4-[(2-methoxy-2-oxoethyl)carbamoyl]piperidine-1-carboxylate
SMILESCOC(=O)CNC(=O)C1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C17H22N2O5/c1-23-15(20)11-18-16(21)14-7-9-19(10-8-14)17(22)24-12-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3,(H,18,21)
InChIKeyFLNDYLYDKCJERI-UHFFFAOYSA-N
MW334.37 g/mol
LogP1.32
Rot. Bonds5

About benzyl 4-[(2-methoxy-2-oxoethyl)carbamoyl]piperidine-1-carboxylate

benzyl 4-[(2-methoxy-2-oxoethyl)carbamoyl]piperidine-1-carboxylate (PubChem CID 3776046) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is benzyl 4-[(2-methoxy-2-oxoethyl)carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[(2-methoxy-2-oxoethyl)carbamoyl]piperidine-1-carboxylate
PubChem CID3776046
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Namebenzyl 4-[(2-methoxy-2-oxoethyl)carbamoyl]piperidine-1-carboxylate
SMILESCOC(=O)CNC(=O)C1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C17H22N2O5/c1-23-15(20)11-18-16(21)14-7-9-19(10-8-14)17(22)24-12-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3,(H,18,21)
InChIKeyFLNDYLYDKCJERI-UHFFFAOYSA-N
XLogP1.32
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl 4-[(2-methoxy-2-oxoethyl)amino]piperidine-1-carboxylate
CID 163554835
benzyl 4-(2-chloroethylcarbamoyl)piperidine-1-carboxylate
CID 3416715
benzyl 4-(formamidocarbamoyl)piperidine-1-carboxylate
CID 171405341
benzyl 2-(cyclopropanecarbonylamino)acetate
CID 26878245
benzyl 4-[2-[ethyl(methyl)amino]ethylcarbamoyl]piperidine-1-carboxylate
CID 60592903
benzyl 4-[(4-methoxyphenyl)carbamoyl]piperidine-1-carboxylate
CID 75365770
benzyl 4-[[(1S)-1-cyclopropylethyl]carbamoyl]piperidine-1-carboxylate
CID 94177956
benzyl 4-[(4-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 75365789
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 4-(2,2,2-trifluoroacetyl)piperidine-1-carboxylate
CID 69063371

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[(2-methoxy-2-oxoethyl)carbamoyl]piperidine-1-carboxylate?
The IUPAC name of benzyl 4-[(2-methoxy-2-oxoethyl)carbamoyl]piperidine-1-carboxylate (CID 3776046) is benzyl 4-[(2-methoxy-2-oxoethyl)carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-[(2-methoxy-2-oxoethyl)carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-[(2-methoxy-2-oxoethyl)carbamoyl]piperidine-1-carboxylate is COC(=O)CNC(=O)C1CCN(C(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl 4-[(2-methoxy-2-oxoethyl)carbamoyl]piperidine-1-carboxylate?
The InChIKey is FLNDYLYDKCJERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5/c1-23-15(20)11-18-16(21)14-7-9-19(10-8-14)17(22)24-12-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3,(H,18,21).
What are the key properties of benzyl 4-[(2-methoxy-2-oxoethyl)carbamoyl]piperidine-1-carboxylate?
benzyl 4-[(2-methoxy-2-oxoethyl)carbamoyl]piperidine-1-carboxylate has a molecular weight of 334.37 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[(2-methoxy-2-oxoethyl)carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 3776046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).