methyl 3-(dimethylcarbamoyl)piperidine-1-carboxylate

C10H18N2O3 — CID 84583376

IUPACmethyl 3-(dimethylcarbamoyl)piperidine-1-carboxylate
SMILESCOC(=O)N1CCCC(C(=O)N(C)C)C1
InChIInChI=1S/C10H18N2O3/c1-11(2)9(13)8-5-4-6-12(7-8)10(14)15-3/h8H,4-7H2,1-3H3
InChIKeyBUULHVCUSAPITN-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.55
Rot. Bonds1

About methyl 3-(dimethylcarbamoyl)piperidine-1-carboxylate

methyl 3-(dimethylcarbamoyl)piperidine-1-carboxylate (PubChem CID 84583376) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is methyl 3-(dimethylcarbamoyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(dimethylcarbamoyl)piperidine-1-carboxylate
PubChem CID84583376
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Namemethyl 3-(dimethylcarbamoyl)piperidine-1-carboxylate
SMILESCOC(=O)N1CCCC(C(=O)N(C)C)C1
InChIInChI=1S/C10H18N2O3/c1-11(2)9(13)8-5-4-6-12(7-8)10(14)15-3/h8H,4-7H2,1-3H3
InChIKeyBUULHVCUSAPITN-UHFFFAOYSA-N
XLogP0.55
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 3-(dimethylcarbamoyl)piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-(dimethylcarbamoyl)piperidine-1-carboxylate?
The IUPAC name of methyl 3-(dimethylcarbamoyl)piperidine-1-carboxylate (CID 84583376) is methyl 3-(dimethylcarbamoyl)piperidine-1-carboxylate.
What is the SMILES notation for methyl 3-(dimethylcarbamoyl)piperidine-1-carboxylate?
The canonical SMILES for methyl 3-(dimethylcarbamoyl)piperidine-1-carboxylate is COC(=O)N1CCCC(C(=O)N(C)C)C1.
What is the InChIKey of methyl 3-(dimethylcarbamoyl)piperidine-1-carboxylate?
The InChIKey is BUULHVCUSAPITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-11(2)9(13)8-5-4-6-12(7-8)10(14)15-3/h8H,4-7H2,1-3H3.
What are the key properties of methyl 3-(dimethylcarbamoyl)piperidine-1-carboxylate?
methyl 3-(dimethylcarbamoyl)piperidine-1-carboxylate has a molecular weight of 214.26 g/mol, XLogP of 0.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(dimethylcarbamoyl)piperidine-1-carboxylate is sourced from PubChem (CID 84583376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).