tert-butyl 4-(4-methylphenyl)-2-oxopiperidine-1-carboxylate

C17H23NO3 — CID 139936140

IUPACtert-butyl 4-(4-methylphenyl)-2-oxopiperidine-1-carboxylate
SMILESCc1ccc(C2CCN(C(=O)OC(C)(C)C)C(=O)C2)cc1
InChIInChI=1S/C17H23NO3/c1-12-5-7-13(8-6-12)14-9-10-18(15(19)11-14)16(20)21-17(2,3)4/h5-8,14H,9-11H2,1-4H3
InChIKeyLXJKKYTUBYSJNM-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.64
Rot. Bonds1

About tert-butyl 4-(4-methylphenyl)-2-oxopiperidine-1-carboxylate

tert-butyl 4-(4-methylphenyl)-2-oxopiperidine-1-carboxylate (PubChem CID 139936140) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is tert-butyl 4-(4-methylphenyl)-2-oxopiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4-methylphenyl)-2-oxopiperidine-1-carboxylate
PubChem CID139936140
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Nametert-butyl 4-(4-methylphenyl)-2-oxopiperidine-1-carboxylate
SMILESCc1ccc(C2CCN(C(=O)OC(C)(C)C)C(=O)C2)cc1
InChIInChI=1S/C17H23NO3/c1-12-5-7-13(8-6-12)14-9-10-18(15(19)11-14)16(20)21-17(2,3)4/h5-8,14H,9-11H2,1-4H3
InChIKeyLXJKKYTUBYSJNM-UHFFFAOYSA-N
XLogP3.64
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Glutarimide, N-ethyl-3-phenyl-
CID 3043002
Glutarimide, N-methyl-3-phenyl-
CID 3043001
1-Methyl-5-phenyl-piperidin-2-one
CID 12012176
Ethyl 4-(3-phenylpropanoyl)piperazine-1-carboxylate
CID 892301
3-[6-(4-Methylphenyl)hexanoyl]-1,3-oxazolidin-2-one
CID 132141138
Ethyl 1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxylate
CID 756675
Methyl 1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxylate
CID 756685
Ethyl 4-[(4-methylphenyl)acetyl]piperazine-1-carboxylate
CID 894934
1-(3-Methylpiperidin-1-yl)-3-phenylpropan-1-one
CID 2891223
3,5-Dimethyl-1-(3-phenylpropanoyl)piperidine
CID 2904340
Ethyl 1-(3-phenylbutanoyl)-3-piperidinecarboxylate
CID 2914344
Ethyl 4-(2-phenylbutanoyl)piperazine-1-carboxylate
CID 2922317

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-methylphenyl)-2-oxopiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(4-methylphenyl)-2-oxopiperidine-1-carboxylate (CID 139936140) is tert-butyl 4-(4-methylphenyl)-2-oxopiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(4-methylphenyl)-2-oxopiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(4-methylphenyl)-2-oxopiperidine-1-carboxylate is Cc1ccc(C2CCN(C(=O)OC(C)(C)C)C(=O)C2)cc1.
What is the InChIKey of tert-butyl 4-(4-methylphenyl)-2-oxopiperidine-1-carboxylate?
The InChIKey is LXJKKYTUBYSJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-12-5-7-13(8-6-12)14-9-10-18(15(19)11-14)16(20)21-17(2,3)4/h5-8,14H,9-11H2,1-4H3.
What are the key properties of tert-butyl 4-(4-methylphenyl)-2-oxopiperidine-1-carboxylate?
tert-butyl 4-(4-methylphenyl)-2-oxopiperidine-1-carboxylate has a molecular weight of 289.38 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-methylphenyl)-2-oxopiperidine-1-carboxylate is sourced from PubChem (CID 139936140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).