methyl (3S)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxylate

C12H21NO3 — CID 78919329

IUPACmethyl (3S)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxylate
SMILESCOC(=O)[C@H]1CCCN(C(=O)C(C)(C)C)C1
InChIInChI=1S/C12H21NO3/c1-12(2,3)11(15)13-7-5-6-9(8-13)10(14)16-4/h9H,5-8H2,1-4H3/t9-/m0/s1
InChIKeyWWXLUDWCBDPABO-VIFPVBQESA-N
MW227.30 g/mol
LogP1.44
Rot. Bonds1

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

methyl (3S)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxylate (PubChem CID 78919329) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is methyl (3S)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3S)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxylate
PubChem CID78919329
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Namemethyl (3S)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxylate
SMILESCOC(=O)[C@H]1CCCN(C(=O)C(C)(C)C)C1
InChIInChI=1S/C12H21NO3/c1-12(2,3)11(15)13-7-5-6-9(8-13)10(14)16-4/h9H,5-8H2,1-4H3/t9-/m0/s1
InChIKeyWWXLUDWCBDPABO-VIFPVBQESA-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 1-(2-hydroxy-2-methylpropanoyl)piperidine-3-carboxylate
CID 103430283
2,2-dimethyl-1-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 94857668
methyl 1-(azepane-1-carbonyl)piperidine-3-carboxylate
CID 113330700
1-(2,2-dimethylpropanoyl)-N-methylpiperidine-3-carboxamide
CID 47406835
methyl 1-carbamoylpiperidine-3-carboxylate
CID 66776661
methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 777600
(3S)-1-[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid
CID 119137245
1-(2,2-dimethylpropanoyl)piperidine-3-carbohydrazide
CID 54793989
1-[3-(3-aminopiperidine-1-carbonyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 119381930
1-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 119413592
methyl 1-[3-(2,2-dimethylpropanoylamino)propanoyl]piperidine-3-carboxylate
CID 78919240
2,2-dimethyl-1-[3-[4-(methylaminomethyl)piperidine-1-carbonyl]piperidin-1-yl]propan-1-one;hydrochloride
CID 119547113

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxylate?
The IUPAC name of methyl (3S)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxylate (CID 78919329) is methyl (3S)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxylate.
What is the SMILES notation for methyl (3S)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxylate?
The canonical SMILES for methyl (3S)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxylate is COC(=O)[C@H]1CCCN(C(=O)C(C)(C)C)C1.
What is the InChIKey of methyl (3S)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxylate?
The InChIKey is WWXLUDWCBDPABO-VIFPVBQESA-N. The full InChI is InChI=1S/C12H21NO3/c1-12(2,3)11(15)13-7-5-6-9(8-13)10(14)16-4/h9H,5-8H2,1-4H3/t9-/m0/s1.
What are the key properties of methyl (3S)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxylate?
methyl (3S)-1-(2,2-dimethylpropanoyl)piperidine-3-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 (3S)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxylate is sourced from PubChem (CID 78919329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).