methyl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate

C14H23NO4 — CID 11129344

IUPACmethyl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate
SMILESCCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)OC
InChIInChI=1S/C14H23NO4/c1-5-14(2,3)11(16)12(17)15-9-7-6-8-10(15)13(18)19-4/h10H,5-9H2,1-4H3/t10-/m0/s1
InChIKeyDGIKCCUODZNIOZ-JTQLQIEISA-N
MW269.34 g/mol
LogP1.55
Rot. Bonds4

About methyl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate

methyl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate (PubChem CID 11129344) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is methyl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate
PubChem CID11129344
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Namemethyl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate
SMILESCCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)OC
InChIInChI=1S/C14H23NO4/c1-5-14(2,3)11(16)12(17)15-9-7-6-8-10(15)13(18)19-4/h10H,5-9H2,1-4H3/t10-/m0/s1
InChIKeyDGIKCCUODZNIOZ-JTQLQIEISA-N
XLogP1.55
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate?
The IUPAC name of methyl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate (CID 11129344) is methyl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate?
The canonical SMILES for methyl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate is CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)OC.
What is the InChIKey of methyl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate?
The InChIKey is DGIKCCUODZNIOZ-JTQLQIEISA-N. The full InChI is InChI=1S/C14H23NO4/c1-5-14(2,3)11(16)12(17)15-9-7-6-8-10(15)13(18)19-4/h10H,5-9H2,1-4H3/t10-/m0/s1.
What are the key properties of methyl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate?
methyl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate has a molecular weight of 269.34 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate is sourced from PubChem (CID 11129344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).