(2-methylphenyl) 3-oxopiperidine-1-carboxylate

C13H15NO3 — CID 116819303

IUPAC(2-methylphenyl) 3-oxopiperidine-1-carboxylate
SMILESCc1ccccc1OC(=O)N1CCCC(=O)C1
InChIInChI=1S/C13H15NO3/c1-10-5-2-3-7-12(10)17-13(16)14-8-4-6-11(15)9-14/h2-3,5,7H,4,6,8-9H2,1H3
InChIKeyPQGHXOKMDKBHEZ-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.16
Rot. Bonds1

About (2-methylphenyl) 3-oxopiperidine-1-carboxylate

(2-methylphenyl) 3-oxopiperidine-1-carboxylate (PubChem CID 116819303) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is (2-methylphenyl) 3-oxopiperidine-1-carboxylate.

Molecular Properties

Compound Name(2-methylphenyl) 3-oxopiperidine-1-carboxylate
PubChem CID116819303
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name(2-methylphenyl) 3-oxopiperidine-1-carboxylate
SMILESCc1ccccc1OC(=O)N1CCCC(=O)C1
InChIInChI=1S/C13H15NO3/c1-10-5-2-3-7-12(10)17-13(16)14-8-4-6-11(15)9-14/h2-3,5,7H,4,6,8-9H2,1H3
InChIKeyPQGHXOKMDKBHEZ-UHFFFAOYSA-N
XLogP2.16
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methoxyphenyl) 3-oxopyrrolidine-1-carboxylate
CID 116819397
(3,4-dimethylphenyl) 3-oxopiperidine-1-carboxylate
CID 116819331
(2,4-dimethylphenyl) 3-oxopyrrolidine-1-carboxylate
CID 116819412
(2,3,6-trimethylphenyl) 3-oxopyrrolidine-1-carboxylate
CID 116819416
(3,4-difluorophenyl) 3-oxopiperidine-1-carboxylate
CID 116819341
(2-prop-1-en-2-ylphenyl) pyrrolidine-1-carboxylate
CID 171829484
1-[2-(3-methylthiophen-2-yl)acetyl]piperidin-3-one
CID 115277128
(4-methoxyphenyl) 3-oxopyrrolidine-1-carboxylate
CID 116819399
ethane;(4-methylnaphthalen-1-yl) piperidine-1-carboxylate
CID 142555031
(2-methylphenyl) 1,4-diazabicyclo[3.2.2]nonane-4-carboxylate
CID 70127362
1-(3-chloro-2-methylbenzoyl)piperidin-3-one
CID 107096876
1-(4-hydroxy-3-methylbenzoyl)piperidin-3-one
CID 107676237

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl) 3-oxopiperidine-1-carboxylate?
The IUPAC name of (2-methylphenyl) 3-oxopiperidine-1-carboxylate (CID 116819303) is (2-methylphenyl) 3-oxopiperidine-1-carboxylate.
What is the SMILES notation for (2-methylphenyl) 3-oxopiperidine-1-carboxylate?
The canonical SMILES for (2-methylphenyl) 3-oxopiperidine-1-carboxylate is Cc1ccccc1OC(=O)N1CCCC(=O)C1.
What is the InChIKey of (2-methylphenyl) 3-oxopiperidine-1-carboxylate?
The InChIKey is PQGHXOKMDKBHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-10-5-2-3-7-12(10)17-13(16)14-8-4-6-11(15)9-14/h2-3,5,7H,4,6,8-9H2,1H3.
What are the key properties of (2-methylphenyl) 3-oxopiperidine-1-carboxylate?
(2-methylphenyl) 3-oxopiperidine-1-carboxylate has a molecular weight of 233.27 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl) 3-oxopiperidine-1-carboxylate is sourced from PubChem (CID 116819303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).