methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate

C12H21NO3 — CID 777600

IUPACmethyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C12H21NO3/c1-12(2,3)11(15)13-7-5-9(6-8-13)10(14)16-4/h9H,5-8H2,1-4H3
InChIKeyCNTNIDHTVUDBAW-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.44
Rot. Bonds1

About methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate

methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate (PubChem CID 777600) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
PubChem CID777600
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Namemethyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C12H21NO3/c1-12(2,3)11(15)13-7-5-9(6-8-13)10(14)16-4/h9H,5-8H2,1-4H3
InChIKeyCNTNIDHTVUDBAW-UHFFFAOYSA-N
XLogP1.44
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (3S)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxylate
CID 78919329
methyl 1-(2-methyl-2-piperazin-1-ylpropanoyl)piperidine-4-carboxylate
CID 80547378
1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2,2-dimethylpropan-1-one
CID 168727093
methyl 1-(2-cyano-2-methylbutanoyl)piperidine-4-carboxylate
CID 114291031
methyl 1-(2,2-dimethylpropanoyloxy)piperidine-4-carboxylate
CID 174789699
methyl 1-propanoylpiperidine-4-carboxylate
CID 4777957
[2-[di(propan-2-yl)amino]-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 55367299
4-(4-methoxycarbonylpiperidin-1-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 65297455
methyl 1-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperidine-4-carboxylate
CID 86977288
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 55367371
methyl 1-carbonocyanidoylpiperidine-4-carboxylate
CID 177487230
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 46812470

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate (CID 777600) is methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)C(C)(C)C)CC1.
What is the InChIKey of methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate?
The InChIKey is CNTNIDHTVUDBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-12(2,3)11(15)13-7-5-9(6-8-13)10(14)16-4/h9H,5-8H2,1-4H3.
What are the key properties of methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate?
methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate has a molecular weight of 227.30 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate is sourced from PubChem (CID 777600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).