benzyl 4-oxo-3-propylpiperidine-1-carboxylate

C16H21NO3 — CID 91755235

IUPACbenzyl 4-oxo-3-propylpiperidine-1-carboxylate
SMILESCCCC1CN(C(=O)OCc2ccccc2)CCC1=O
InChIInChI=1S/C16H21NO3/c1-2-6-14-11-17(10-9-15(14)18)16(19)20-12-13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12H2,1H3
InChIKeyZRZIOKPBYIVQBD-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.01
Rot. Bonds4

About benzyl 4-oxo-3-propylpiperidine-1-carboxylate

benzyl 4-oxo-3-propylpiperidine-1-carboxylate (PubChem CID 91755235) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is benzyl 4-oxo-3-propylpiperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-oxo-3-propylpiperidine-1-carboxylate
PubChem CID91755235
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Namebenzyl 4-oxo-3-propylpiperidine-1-carboxylate
SMILESCCCC1CN(C(=O)OCc2ccccc2)CCC1=O
InChIInChI=1S/C16H21NO3/c1-2-6-14-11-17(10-9-15(14)18)16(19)20-12-13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12H2,1H3
InChIKeyZRZIOKPBYIVQBD-UHFFFAOYSA-N
XLogP3.01
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl (3R)-3-butyl-4-oxopiperidine-1-carboxylate
CID 124678777
4-oxo-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid
CID 53249825
benzyl 3-isocyano-4-oxopiperidine-1-carboxylate
CID 123682168
benzyl (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxopiperidine-1-carboxylate
CID 52915467
benzyl (3S)-3-cyano-4-oxopiperidine-1-carboxylate
CID 86312007
benzyl (3S)-3-(2-methoxy-2-oxoethyl)-4-oxopiperidine-1-carboxylate;trifluoromethylbenzene
CID 143554181
benzyl 6-methyl-3,6-diazabicyclo[3.1.0]hexane-3-carboxylate
CID 178029829
benzyl 3-methylpyrrolidine-1-carboxylate;ethane
CID 164877739
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 3-methyl-5-oxopiperidine-1-carboxylate
CID 163219670
benzyl (4aS,7aS)-7-oxo-3,4,4a,5,6,7a-hexahydro-1H-cyclopenta[c]pyridine-2-carboxylate
CID 86591297
benzyl (4aS,7aR)-5-oxo-3,4,4a,6,7,7a-hexahydro-1H-cyclopenta[c]pyridine-2-carboxylate
CID 58739371

Frequently Asked Questions

What is the IUPAC name of benzyl 4-oxo-3-propylpiperidine-1-carboxylate?
The IUPAC name of benzyl 4-oxo-3-propylpiperidine-1-carboxylate (CID 91755235) is benzyl 4-oxo-3-propylpiperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-oxo-3-propylpiperidine-1-carboxylate?
The canonical SMILES for benzyl 4-oxo-3-propylpiperidine-1-carboxylate is CCCC1CN(C(=O)OCc2ccccc2)CCC1=O.
What is the InChIKey of benzyl 4-oxo-3-propylpiperidine-1-carboxylate?
The InChIKey is ZRZIOKPBYIVQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-2-6-14-11-17(10-9-15(14)18)16(19)20-12-13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12H2,1H3.
What are the key properties of benzyl 4-oxo-3-propylpiperidine-1-carboxylate?
benzyl 4-oxo-3-propylpiperidine-1-carboxylate has a molecular weight of 275.35 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-oxo-3-propylpiperidine-1-carboxylate is sourced from PubChem (CID 91755235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).