methyl 1-benzyl-6-oxopiperidine-2-carboxylate

C14H17NO3 — CID 23525582

IUPACmethyl 1-benzyl-6-oxopiperidine-2-carboxylate
SMILESCOC(=O)C1CCCC(=O)N1Cc1ccccc1
InChIInChI=1S/C14H17NO3/c1-18-14(17)12-8-5-9-13(16)15(12)10-11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3
InChIKeyPVXAQXJAUALCMK-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.74
Rot. Bonds3

About methyl 1-benzyl-6-oxopiperidine-2-carboxylate

methyl 1-benzyl-6-oxopiperidine-2-carboxylate (PubChem CID 23525582) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is methyl 1-benzyl-6-oxopiperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-benzyl-6-oxopiperidine-2-carboxylate
PubChem CID23525582
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Namemethyl 1-benzyl-6-oxopiperidine-2-carboxylate
SMILESCOC(=O)C1CCCC(=O)N1Cc1ccccc1
InChIInChI=1S/C14H17NO3/c1-18-14(17)12-8-5-9-13(16)15(12)10-11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3
InChIKeyPVXAQXJAUALCMK-UHFFFAOYSA-N
XLogP1.74
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(6S)-1-benzyl-6-propanoylpiperidin-2-one
CID 134835246
1-benzyl-6-methoxypiperidin-2-one
CID 10036374
methyl (2S)-1-benzyl-6-(nitromethylidene)piperidine-2-carboxylate
CID 91400636
benzyl (2S)-1-ethyl-6-oxopiperidine-2-carboxylate
CID 129268188
(6S)-1-benzyl-6-(2-hydroxypropan-2-yl)piperidin-2-one
CID 101333052
methyl 1-benzylpyrrolidine-2-carboxylate
CID 562947
1-[(3-chlorophenyl)methyl]-6-oxopiperidine-2-carboxylic acid
CID 91812161
N-[(2R)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-1-benzyl-6-oxopiperidine-2-carboxamide
CID 66644739
methyl 1-benzylpiperidine-2-carboxylate
CID 10443988
2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-methyl-2-oxoacetamide
CID 139335095
1-benzyl-N-butan-2-yl-5-oxopyrrolidine-2-carboxamide
CID 110387564
methyl (2R,5E)-1-benzyl-5-phenacylidenepyrrolidine-2-carboxylate
CID 11695711

Frequently Asked Questions

What is the IUPAC name of methyl 1-benzyl-6-oxopiperidine-2-carboxylate?
The IUPAC name of methyl 1-benzyl-6-oxopiperidine-2-carboxylate (CID 23525582) is methyl 1-benzyl-6-oxopiperidine-2-carboxylate.
What is the SMILES notation for methyl 1-benzyl-6-oxopiperidine-2-carboxylate?
The canonical SMILES for methyl 1-benzyl-6-oxopiperidine-2-carboxylate is COC(=O)C1CCCC(=O)N1Cc1ccccc1.
What is the InChIKey of methyl 1-benzyl-6-oxopiperidine-2-carboxylate?
The InChIKey is PVXAQXJAUALCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-18-14(17)12-8-5-9-13(16)15(12)10-11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3.
What are the key properties of methyl 1-benzyl-6-oxopiperidine-2-carboxylate?
methyl 1-benzyl-6-oxopiperidine-2-carboxylate has a molecular weight of 247.29 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-benzyl-6-oxopiperidine-2-carboxylate is sourced from PubChem (CID 23525582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).