methyl 4-[acetyl(methyl)amino]-1-methylpiperidine-4-carboxylate

C11H20N2O3 — CID 59929895

IUPACmethyl 4-[acetyl(methyl)amino]-1-methylpiperidine-4-carboxylate
SMILESCOC(=O)C1(N(C)C(C)=O)CCN(C)CC1
InChIInChI=1S/C11H20N2O3/c1-9(14)13(3)11(10(15)16-4)5-7-12(2)8-6-11/h5-8H2,1-4H3
InChIKeyUGICJHSRZMLPKG-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.10
Rot. Bonds2

About methyl 4-[acetyl(methyl)amino]-1-methylpiperidine-4-carboxylate

methyl 4-[acetyl(methyl)amino]-1-methylpiperidine-4-carboxylate (PubChem CID 59929895) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is methyl 4-[acetyl(methyl)amino]-1-methylpiperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-[acetyl(methyl)amino]-1-methylpiperidine-4-carboxylate
PubChem CID59929895
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Namemethyl 4-[acetyl(methyl)amino]-1-methylpiperidine-4-carboxylate
SMILESCOC(=O)C1(N(C)C(C)=O)CCN(C)CC1
InChIInChI=1S/C11H20N2O3/c1-9(14)13(3)11(10(15)16-4)5-7-12(2)8-6-11/h5-8H2,1-4H3
InChIKeyUGICJHSRZMLPKG-UHFFFAOYSA-N
XLogP0.10
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[acetyl(methyl)amino]-1-methylpiperidine-4-carboxylate?
The IUPAC name of methyl 4-[acetyl(methyl)amino]-1-methylpiperidine-4-carboxylate (CID 59929895) is methyl 4-[acetyl(methyl)amino]-1-methylpiperidine-4-carboxylate.
What is the SMILES notation for methyl 4-[acetyl(methyl)amino]-1-methylpiperidine-4-carboxylate?
The canonical SMILES for methyl 4-[acetyl(methyl)amino]-1-methylpiperidine-4-carboxylate is COC(=O)C1(N(C)C(C)=O)CCN(C)CC1.
What is the InChIKey of methyl 4-[acetyl(methyl)amino]-1-methylpiperidine-4-carboxylate?
The InChIKey is UGICJHSRZMLPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-9(14)13(3)11(10(15)16-4)5-7-12(2)8-6-11/h5-8H2,1-4H3.
What are the key properties of methyl 4-[acetyl(methyl)amino]-1-methylpiperidine-4-carboxylate?
methyl 4-[acetyl(methyl)amino]-1-methylpiperidine-4-carboxylate has a molecular weight of 228.29 g/mol, XLogP of 0.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[acetyl(methyl)amino]-1-methylpiperidine-4-carboxylate is sourced from PubChem (CID 59929895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).