1-(3-methoxy-3-methylpiperidine-1-carbonyl)-5-oxopiperazine-2-carboxylic acid

C13H21N3O5 — CID 107439498

IUPAC1-(3-methoxy-3-methylpiperidine-1-carbonyl)-5-oxopiperazine-2-carboxylic acid
SMILESCOC1(C)CCCN(C(=O)N2CC(=O)NCC2C(=O)O)C1
InChIInChI=1S/C13H21N3O5/c1-13(21-2)4-3-5-15(8-13)12(20)16-7-10(17)14-6-9(16)11(18)19/h9H,3-8H2,1-2H3,(H,14,17)(H,18,19)
InChIKeyFZSBSKNDINCLKI-UHFFFAOYSA-N
MW299.33 g/mol
LogP-0.51
Rot. Bonds2

About 1-(3-methoxy-3-methylpiperidine-1-carbonyl)-5-oxopiperazine-2-carboxylic acid

1-(3-methoxy-3-methylpiperidine-1-carbonyl)-5-oxopiperazine-2-carboxylic acid (PubChem CID 107439498) has the molecular formula C13H21N3O5 and a molecular weight of 299.33 g/mol. Its IUPAC name is 1-(3-methoxy-3-methylpiperidine-1-carbonyl)-5-oxopiperazine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-methoxy-3-methylpiperidine-1-carbonyl)-5-oxopiperazine-2-carboxylic acid
PubChem CID107439498
Molecular FormulaC13H21N3O5
Molecular Weight299.33 g/mol
Exact Mass299.15
IUPAC Name1-(3-methoxy-3-methylpiperidine-1-carbonyl)-5-oxopiperazine-2-carboxylic acid
SMILESCOC1(C)CCCN(C(=O)N2CC(=O)NCC2C(=O)O)C1
InChIInChI=1S/C13H21N3O5/c1-13(21-2)4-3-5-15(8-13)12(20)16-7-10(17)14-6-9(16)11(18)19/h9H,3-8H2,1-2H3,(H,14,17)(H,18,19)
InChIKeyFZSBSKNDINCLKI-UHFFFAOYSA-N
XLogP-0.51
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxy-3-methylpiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid
CID 107394008
1-(4-methylpiperazine-1-carbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107437216
1-(4-ethoxypiperidine-1-carbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107438116
5-oxo-1-(5-oxo-1,4-diazepane-1-carbonyl)piperazine-2-carboxylic acid
CID 107438696
azetidin-3-yl-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107392334
1-[3-(aminomethyl)pyrrolidine-1-carbonyl]-5-oxopiperazine-2-carboxylic acid
CID 107438597
2-[4-(3-methoxy-3-methylpiperidine-1-carbonyl)morpholin-3-yl]acetic acid
CID 107394034
2-methoxy-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone
CID 107395939
1-[(2,2-dimethylcyclohexyl)carbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 107439003
1-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]-5-oxopiperazine-2-carboxylic acid
CID 107439443
1-(cyclopropanecarbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107432929
3-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 107393973

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-3-methylpiperidine-1-carbonyl)-5-oxopiperazine-2-carboxylic acid?
The IUPAC name of 1-(3-methoxy-3-methylpiperidine-1-carbonyl)-5-oxopiperazine-2-carboxylic acid (CID 107439498) is 1-(3-methoxy-3-methylpiperidine-1-carbonyl)-5-oxopiperazine-2-carboxylic acid.
What is the SMILES notation for 1-(3-methoxy-3-methylpiperidine-1-carbonyl)-5-oxopiperazine-2-carboxylic acid?
The canonical SMILES for 1-(3-methoxy-3-methylpiperidine-1-carbonyl)-5-oxopiperazine-2-carboxylic acid is COC1(C)CCCN(C(=O)N2CC(=O)NCC2C(=O)O)C1.
What is the InChIKey of 1-(3-methoxy-3-methylpiperidine-1-carbonyl)-5-oxopiperazine-2-carboxylic acid?
The InChIKey is FZSBSKNDINCLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O5/c1-13(21-2)4-3-5-15(8-13)12(20)16-7-10(17)14-6-9(16)11(18)19/h9H,3-8H2,1-2H3,(H,14,17)(H,18,19).
What are the key properties of 1-(3-methoxy-3-methylpiperidine-1-carbonyl)-5-oxopiperazine-2-carboxylic acid?
1-(3-methoxy-3-methylpiperidine-1-carbonyl)-5-oxopiperazine-2-carboxylic acid has a molecular weight of 299.33 g/mol, XLogP of -0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-3-methylpiperidine-1-carbonyl)-5-oxopiperazine-2-carboxylic acid is sourced from PubChem (CID 107439498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).