propan-2-yl 3-(dimethylcarbamoyl)piperidine-1-carboxylate

C12H22N2O3 — CID 177326825

IUPACpropan-2-yl 3-(dimethylcarbamoyl)piperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCCC(C(=O)N(C)C)C1
InChIInChI=1S/C12H22N2O3/c1-9(2)17-12(16)14-7-5-6-10(8-14)11(15)13(3)4/h9-10H,5-8H2,1-4H3
InChIKeyARNBTPDSKGYXPL-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.33
Rot. Bonds2

About propan-2-yl 3-(dimethylcarbamoyl)piperidine-1-carboxylate

propan-2-yl 3-(dimethylcarbamoyl)piperidine-1-carboxylate (PubChem CID 177326825) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is propan-2-yl 3-(dimethylcarbamoyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 3-(dimethylcarbamoyl)piperidine-1-carboxylate
PubChem CID177326825
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Namepropan-2-yl 3-(dimethylcarbamoyl)piperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCCC(C(=O)N(C)C)C1
InChIInChI=1S/C12H22N2O3/c1-9(2)17-12(16)14-7-5-6-10(8-14)11(15)13(3)4/h9-10H,5-8H2,1-4H3
InChIKeyARNBTPDSKGYXPL-UHFFFAOYSA-N
XLogP1.33
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-propan-2-yloxycarbonylpiperidine-3-carboxylic acid
CID 81119636
3-O-ethyl 1-O-propan-2-yl (3S)-piperidine-1,3-dicarboxylate
CID 115536035
methyl 3-[methyl(propan-2-yl)carbamoyl]piperidine-1-carboxylate
CID 86860285
N,N-dimethyl-1-prop-1-en-2-ylpiperidine-3-carboxamide;ethane
CID 177327317
propan-2-yl 4-propan-2-ylazepane-1-carboxylate
CID 116656252
N,N-dimethyl-1-pentanoylpiperidine-3-carboxamide
CID 60601624
3-N-methoxy-1-N,1-N,3-N-trimethylpiperidine-1,3-dicarboxamide
CID 60767416
propan-2-yl (3R)-3-cyanopiperidine-1-carboxylate
CID 130806171
propan-2-yl 3-(2-hydroxyethyl)piperidine-1-carboxylate
CID 62356607
(3R)-1-(dimethylsulfamoyl)-N,N-dimethylpiperidine-3-carboxamide
CID 92684694
1-heptan-4-yl-N,N-dimethylpiperidine-3-carboxamide
CID 174980443
2-[methyl-[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]acetic acid
CID 119172432

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-(dimethylcarbamoyl)piperidine-1-carboxylate?
The IUPAC name of propan-2-yl 3-(dimethylcarbamoyl)piperidine-1-carboxylate (CID 177326825) is propan-2-yl 3-(dimethylcarbamoyl)piperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 3-(dimethylcarbamoyl)piperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 3-(dimethylcarbamoyl)piperidine-1-carboxylate is CC(C)OC(=O)N1CCCC(C(=O)N(C)C)C1.
What is the InChIKey of propan-2-yl 3-(dimethylcarbamoyl)piperidine-1-carboxylate?
The InChIKey is ARNBTPDSKGYXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-9(2)17-12(16)14-7-5-6-10(8-14)11(15)13(3)4/h9-10H,5-8H2,1-4H3.
What are the key properties of propan-2-yl 3-(dimethylcarbamoyl)piperidine-1-carboxylate?
propan-2-yl 3-(dimethylcarbamoyl)piperidine-1-carboxylate has a molecular weight of 242.32 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-(dimethylcarbamoyl)piperidine-1-carboxylate is sourced from PubChem (CID 177326825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).