1-[methyl-(1-methylpiperidin-4-yl)carbamoyl]-5-oxopiperazine-2-carboxylic acid

C13H22N4O4 — CID 107437605

IUPAC1-[methyl-(1-methylpiperidin-4-yl)carbamoyl]-5-oxopiperazine-2-carboxylic acid
SMILESCN1CCC(N(C)C(=O)N2CC(=O)NCC2C(=O)O)CC1
InChIInChI=1S/C13H22N4O4/c1-15-5-3-9(4-6-15)16(2)13(21)17-8-11(18)14-7-10(17)12(19)20/h9-10H,3-8H2,1-2H3,(H,14,18)(H,19,20)
InChIKeyGKSRBLZXMAFBPI-UHFFFAOYSA-N
MW298.34 g/mol
LogP-0.98
Rot. Bonds2

About 1-[methyl-(1-methylpiperidin-4-yl)carbamoyl]-5-oxopiperazine-2-carboxylic acid

1-[methyl-(1-methylpiperidin-4-yl)carbamoyl]-5-oxopiperazine-2-carboxylic acid (PubChem CID 107437605) has the molecular formula C13H22N4O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is 1-[methyl-(1-methylpiperidin-4-yl)carbamoyl]-5-oxopiperazine-2-carboxylic acid.

Molecular Properties

Compound Name1-[methyl-(1-methylpiperidin-4-yl)carbamoyl]-5-oxopiperazine-2-carboxylic acid
PubChem CID107437605
Molecular FormulaC13H22N4O4
Molecular Weight298.34 g/mol
Exact Mass298.16
IUPAC Name1-[methyl-(1-methylpiperidin-4-yl)carbamoyl]-5-oxopiperazine-2-carboxylic acid
SMILESCN1CCC(N(C)C(=O)N2CC(=O)NCC2C(=O)O)CC1
InChIInChI=1S/C13H22N4O4/c1-15-5-3-9(4-6-15)16(2)13(21)17-8-11(18)14-7-10(17)12(19)20/h9-10H,3-8H2,1-2H3,(H,14,18)(H,19,20)
InChIKeyGKSRBLZXMAFBPI-UHFFFAOYSA-N
XLogP-0.98
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[methyl-(1-methylpiperidin-4-yl)carbamoyl]-5-oxopiperazine-2-carboxylic acid?
The IUPAC name of 1-[methyl-(1-methylpiperidin-4-yl)carbamoyl]-5-oxopiperazine-2-carboxylic acid (CID 107437605) is 1-[methyl-(1-methylpiperidin-4-yl)carbamoyl]-5-oxopiperazine-2-carboxylic acid.
What is the SMILES notation for 1-[methyl-(1-methylpiperidin-4-yl)carbamoyl]-5-oxopiperazine-2-carboxylic acid?
The canonical SMILES for 1-[methyl-(1-methylpiperidin-4-yl)carbamoyl]-5-oxopiperazine-2-carboxylic acid is CN1CCC(N(C)C(=O)N2CC(=O)NCC2C(=O)O)CC1.
What is the InChIKey of 1-[methyl-(1-methylpiperidin-4-yl)carbamoyl]-5-oxopiperazine-2-carboxylic acid?
The InChIKey is GKSRBLZXMAFBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O4/c1-15-5-3-9(4-6-15)16(2)13(21)17-8-11(18)14-7-10(17)12(19)20/h9-10H,3-8H2,1-2H3,(H,14,18)(H,19,20).
What are the key properties of 1-[methyl-(1-methylpiperidin-4-yl)carbamoyl]-5-oxopiperazine-2-carboxylic acid?
1-[methyl-(1-methylpiperidin-4-yl)carbamoyl]-5-oxopiperazine-2-carboxylic acid has a molecular weight of 298.34 g/mol, XLogP of -0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-(1-methylpiperidin-4-yl)carbamoyl]-5-oxopiperazine-2-carboxylic acid is sourced from PubChem (CID 107437605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).