[2-(methylcarbamoyl)piperidin-1-yl] 2,2-dimethylpropanoate

C12H22N2O3 — CID 174530094

IUPAC[2-(methylcarbamoyl)piperidin-1-yl] 2,2-dimethylpropanoate
SMILESCNC(=O)C1CCCCN1OC(=O)C(C)(C)C
InChIInChI=1S/C12H22N2O3/c1-12(2,3)11(16)17-14-8-6-5-7-9(14)10(15)13-4/h9H,5-8H2,1-4H3,(H,13,15)
InChIKeyWKRPSWCJQZHLAT-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.09
Rot. Bonds2

About [2-(methylcarbamoyl)piperidin-1-yl] 2,2-dimethylpropanoate

[2-(methylcarbamoyl)piperidin-1-yl] 2,2-dimethylpropanoate (PubChem CID 174530094) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is [2-(methylcarbamoyl)piperidin-1-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[2-(methylcarbamoyl)piperidin-1-yl] 2,2-dimethylpropanoate
PubChem CID174530094
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name[2-(methylcarbamoyl)piperidin-1-yl] 2,2-dimethylpropanoate
SMILESCNC(=O)C1CCCCN1OC(=O)C(C)(C)C
InChIInChI=1S/C12H22N2O3/c1-12(2,3)11(16)17-14-8-6-5-7-9(14)10(15)13-4/h9H,5-8H2,1-4H3,(H,13,15)
InChIKeyWKRPSWCJQZHLAT-UHFFFAOYSA-N
XLogP1.09
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-hydroxypyrrolidin-1-yl) 2,2-dimethylpropanoate
CID 130129550
[2-(2-cyanoacetyl)pyrrolidin-1-yl] 2,2-dimethylpropanoate
CID 174878117
1-acetyl-N-methylpiperidine-2-carboxamide
CID 10607550
1-[2-(tert-butylamino)acetyl]-N-methylpiperidine-2-carboxamide
CID 78986673
1-(2-chloropropanoyl)-N-methylpiperidine-2-carboxamide
CID 60949285
1-(2-amino-2-methylbutanoyl)-N-methylpiperidine-2-carboxamide
CID 79805407
(2S)-1-(2,2-dimethylpropyl)-N-methylpyrrolidine-2-carboxamide
CID 140912286
1-(N'-hydroxycarbamimidoyl)-N-methylpiperidine-2-carboxamide
CID 76944384
[(2R)-2-[3,4,5-tris(fluoromethyl)benzoyl]pyrrolidin-1-yl] 2,2-dimethylpropanoate
CID 174973133
N-methyl-1-(2-sulfanylpropanoyl)piperidine-2-carboxamide
CID 107026107
[2-[amino(pyrimidin-2-yl)methyl]piperidin-1-yl] 2,2-dimethylpropanoate
CID 174481180
methyl 1-(2,2-dimethylpropanoyloxy)piperidine-4-carboxylate
CID 174789699

Frequently Asked Questions

What is the IUPAC name of [2-(methylcarbamoyl)piperidin-1-yl] 2,2-dimethylpropanoate?
The IUPAC name of [2-(methylcarbamoyl)piperidin-1-yl] 2,2-dimethylpropanoate (CID 174530094) is [2-(methylcarbamoyl)piperidin-1-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [2-(methylcarbamoyl)piperidin-1-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [2-(methylcarbamoyl)piperidin-1-yl] 2,2-dimethylpropanoate is CNC(=O)C1CCCCN1OC(=O)C(C)(C)C.
What is the InChIKey of [2-(methylcarbamoyl)piperidin-1-yl] 2,2-dimethylpropanoate?
The InChIKey is WKRPSWCJQZHLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-12(2,3)11(16)17-14-8-6-5-7-9(14)10(15)13-4/h9H,5-8H2,1-4H3,(H,13,15).
What are the key properties of [2-(methylcarbamoyl)piperidin-1-yl] 2,2-dimethylpropanoate?
[2-(methylcarbamoyl)piperidin-1-yl] 2,2-dimethylpropanoate has a molecular weight of 242.32 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylcarbamoyl)piperidin-1-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 174530094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).