methyl 4-methyl-1-(3-methylpyrrolidine-1-carbonyl)piperidine-4-carboxylate

C14H24N2O3 — CID 178147779

IUPACmethyl 4-methyl-1-(3-methylpyrrolidine-1-carbonyl)piperidine-4-carboxylate
SMILESCOC(=O)C1(C)CCN(C(=O)N2CCC(C)C2)CC1
InChIInChI=1S/C14H24N2O3/c1-11-4-7-16(10-11)13(18)15-8-5-14(2,6-9-15)12(17)19-3/h11H,4-10H2,1-3H3
InChIKeyTVPJXCZACGXCEB-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.72
Rot. Bonds1

About methyl 4-methyl-1-(3-methylpyrrolidine-1-carbonyl)piperidine-4-carboxylate

methyl 4-methyl-1-(3-methylpyrrolidine-1-carbonyl)piperidine-4-carboxylate (PubChem CID 178147779) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is methyl 4-methyl-1-(3-methylpyrrolidine-1-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-1-(3-methylpyrrolidine-1-carbonyl)piperidine-4-carboxylate
PubChem CID178147779
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Namemethyl 4-methyl-1-(3-methylpyrrolidine-1-carbonyl)piperidine-4-carboxylate
SMILESCOC(=O)C1(C)CCN(C(=O)N2CCC(C)C2)CC1
InChIInChI=1S/C14H24N2O3/c1-11-4-7-16(10-11)13(18)15-8-5-14(2,6-9-15)12(17)19-3/h11H,4-10H2,1-3H3
InChIKeyTVPJXCZACGXCEB-UHFFFAOYSA-N
XLogP1.72
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-1-(3-methylpyrrolidine-1-carbonyl)piperidine-4-carboxylate?
The IUPAC name of methyl 4-methyl-1-(3-methylpyrrolidine-1-carbonyl)piperidine-4-carboxylate (CID 178147779) is methyl 4-methyl-1-(3-methylpyrrolidine-1-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 4-methyl-1-(3-methylpyrrolidine-1-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 4-methyl-1-(3-methylpyrrolidine-1-carbonyl)piperidine-4-carboxylate is COC(=O)C1(C)CCN(C(=O)N2CCC(C)C2)CC1.
What is the InChIKey of methyl 4-methyl-1-(3-methylpyrrolidine-1-carbonyl)piperidine-4-carboxylate?
The InChIKey is TVPJXCZACGXCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-11-4-7-16(10-11)13(18)15-8-5-14(2,6-9-15)12(17)19-3/h11H,4-10H2,1-3H3.
What are the key properties of methyl 4-methyl-1-(3-methylpyrrolidine-1-carbonyl)piperidine-4-carboxylate?
methyl 4-methyl-1-(3-methylpyrrolidine-1-carbonyl)piperidine-4-carboxylate has a molecular weight of 268.36 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-1-(3-methylpyrrolidine-1-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 178147779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).