benzyl 2-methyl-4-oxopiperidine-1-carboxylate

C14H17NO3 — CID 46941997

IUPACbenzyl 2-methyl-4-oxopiperidine-1-carboxylate
SMILESCC1CC(=O)CCN1C(=O)OCc1ccccc1
InChIInChI=1S/C14H17NO3/c1-11-9-13(16)7-8-15(11)14(17)18-10-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3
InChIKeyNKUKIRSAMUEXPP-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.38
Rot. Bonds2

About benzyl 2-methyl-4-oxopiperidine-1-carboxylate

benzyl 2-methyl-4-oxopiperidine-1-carboxylate (PubChem CID 46941997) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is benzyl 2-methyl-4-oxopiperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2-methyl-4-oxopiperidine-1-carboxylate
PubChem CID46941997
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Namebenzyl 2-methyl-4-oxopiperidine-1-carboxylate
SMILESCC1CC(=O)CCN1C(=O)OCc1ccccc1
InChIInChI=1S/C14H17NO3/c1-11-9-13(16)7-8-15(11)14(17)18-10-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3
InChIKeyNKUKIRSAMUEXPP-UHFFFAOYSA-N
XLogP2.38
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl 2-methyl-4-oxopiperidine-1-carboxylate?
The IUPAC name of benzyl 2-methyl-4-oxopiperidine-1-carboxylate (CID 46941997) is benzyl 2-methyl-4-oxopiperidine-1-carboxylate.
What is the SMILES notation for benzyl 2-methyl-4-oxopiperidine-1-carboxylate?
The canonical SMILES for benzyl 2-methyl-4-oxopiperidine-1-carboxylate is CC1CC(=O)CCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-methyl-4-oxopiperidine-1-carboxylate?
The InChIKey is NKUKIRSAMUEXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-11-9-13(16)7-8-15(11)14(17)18-10-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3.
What are the key properties of benzyl 2-methyl-4-oxopiperidine-1-carboxylate?
benzyl 2-methyl-4-oxopiperidine-1-carboxylate has a molecular weight of 247.29 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-methyl-4-oxopiperidine-1-carboxylate is sourced from PubChem (CID 46941997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).