methyl 3-[methyl(propan-2-yl)carbamoyl]piperidine-1-carboxylate

C12H22N2O3 — CID 86860285

IUPACmethyl 3-[methyl(propan-2-yl)carbamoyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCCC(C(=O)N(C)C(C)C)C1
InChIInChI=1S/C12H22N2O3/c1-9(2)13(3)11(15)10-6-5-7-14(8-10)12(16)17-4/h9-10H,5-8H2,1-4H3
InChIKeyVHCCQSJHWLDBKV-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.33
Rot. Bonds2

About methyl 3-[methyl(propan-2-yl)carbamoyl]piperidine-1-carboxylate

methyl 3-[methyl(propan-2-yl)carbamoyl]piperidine-1-carboxylate (PubChem CID 86860285) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is methyl 3-[methyl(propan-2-yl)carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-[methyl(propan-2-yl)carbamoyl]piperidine-1-carboxylate
PubChem CID86860285
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Namemethyl 3-[methyl(propan-2-yl)carbamoyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCCC(C(=O)N(C)C(C)C)C1
InChIInChI=1S/C12H22N2O3/c1-9(2)13(3)11(15)10-6-5-7-14(8-10)12(16)17-4/h9-10H,5-8H2,1-4H3
InChIKeyVHCCQSJHWLDBKV-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

methyl 3-acetylpiperidine-1-carboxylate
CID 59841149
N-methyl-N,1-di(propan-2-yl)piperidine-3-carboxamide
CID 153039047
propan-2-yl 3-(dimethylcarbamoyl)piperidine-1-carboxylate
CID 177326825
methyl 3-[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]piperidine-1-carboxylate
CID 110754305
(3R)-3-N-methoxy-3-N-methyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 94123913
(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methyl-N-propan-2-ylpiperidine-3-carboxamide
CID 26405433
3-N-methoxy-1-N,1-N,3-N-trimethylpiperidine-1,3-dicarboxamide
CID 60767416
3-O-ethyl 1-O-methyl (3S)-piperidine-1,3-dicarboxylate
CID 51681874
tert-butyl 3-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate;ethane
CID 142129006
2-[methyl-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]amino]propanoic acid
CID 119208888
methyl (3S)-3-[(1R)-1-aminoethyl]piperidine-1-carboxylate
CID 95320381
methyl 3-[1-(methylamino)ethyl]piperidine-1-carboxylate
CID 83880752

Frequently Asked Questions

What is the IUPAC name of methyl 3-[methyl(propan-2-yl)carbamoyl]piperidine-1-carboxylate?
The IUPAC name of methyl 3-[methyl(propan-2-yl)carbamoyl]piperidine-1-carboxylate (CID 86860285) is methyl 3-[methyl(propan-2-yl)carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for methyl 3-[methyl(propan-2-yl)carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for methyl 3-[methyl(propan-2-yl)carbamoyl]piperidine-1-carboxylate is COC(=O)N1CCCC(C(=O)N(C)C(C)C)C1.
What is the InChIKey of methyl 3-[methyl(propan-2-yl)carbamoyl]piperidine-1-carboxylate?
The InChIKey is VHCCQSJHWLDBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-9(2)13(3)11(15)10-6-5-7-14(8-10)12(16)17-4/h9-10H,5-8H2,1-4H3.
What are the key properties of methyl 3-[methyl(propan-2-yl)carbamoyl]piperidine-1-carboxylate?
methyl 3-[methyl(propan-2-yl)carbamoyl]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 methyl 3-[methyl(propan-2-yl)carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 86860285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).