methyl 1-(5-oxopyrrolidine-2-carbonyl)piperidine-4-carboxylate

C12H18N2O4 — CID 43404813

IUPACmethyl 1-(5-oxopyrrolidine-2-carbonyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)C2CCC(=O)N2)CC1
InChIInChI=1S/C12H18N2O4/c1-18-12(17)8-4-6-14(7-5-8)11(16)9-2-3-10(15)13-9/h8-9H,2-7H2,1H3,(H,13,15)
InChIKeyJFJZQELVWNSVTQ-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.32
Rot. Bonds2

About methyl 1-(5-oxopyrrolidine-2-carbonyl)piperidine-4-carboxylate

methyl 1-(5-oxopyrrolidine-2-carbonyl)piperidine-4-carboxylate (PubChem CID 43404813) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is methyl 1-(5-oxopyrrolidine-2-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(5-oxopyrrolidine-2-carbonyl)piperidine-4-carboxylate
PubChem CID43404813
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Namemethyl 1-(5-oxopyrrolidine-2-carbonyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)C2CCC(=O)N2)CC1
InChIInChI=1S/C12H18N2O4/c1-18-12(17)8-4-6-14(7-5-8)11(16)9-2-3-10(15)13-9/h8-9H,2-7H2,1H3,(H,13,15)
InChIKeyJFJZQELVWNSVTQ-UHFFFAOYSA-N
XLogP-0.32
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(5-oxopyrrolidine-2-carbonyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(5-oxopyrrolidine-2-carbonyl)piperidine-4-carboxylate (CID 43404813) is methyl 1-(5-oxopyrrolidine-2-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(5-oxopyrrolidine-2-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(5-oxopyrrolidine-2-carbonyl)piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)C2CCC(=O)N2)CC1.
What is the InChIKey of methyl 1-(5-oxopyrrolidine-2-carbonyl)piperidine-4-carboxylate?
The InChIKey is JFJZQELVWNSVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-18-12(17)8-4-6-14(7-5-8)11(16)9-2-3-10(15)13-9/h8-9H,2-7H2,1H3,(H,13,15).
What are the key properties of methyl 1-(5-oxopyrrolidine-2-carbonyl)piperidine-4-carboxylate?
methyl 1-(5-oxopyrrolidine-2-carbonyl)piperidine-4-carboxylate has a molecular weight of 254.29 g/mol, XLogP of -0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(5-oxopyrrolidine-2-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 43404813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).