4-(4-methyl-3-oxopiperazine-1-carbonyl)cyclohexane-1-carboxylic acid

C13H20N2O4 — CID 64694555

IUPAC4-(4-methyl-3-oxopiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
SMILESCN1CCN(C(=O)C2CCC(C(=O)O)CC2)CC1=O
InChIInChI=1S/C13H20N2O4/c1-14-6-7-15(8-11(14)16)12(17)9-2-4-10(5-3-9)13(18)19/h9-10H,2-8H2,1H3,(H,18,19)
InChIKeySMTUKAGRFFNPFO-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.18
Rot. Bonds2

About 4-(4-methyl-3-oxopiperazine-1-carbonyl)cyclohexane-1-carboxylic acid

4-(4-methyl-3-oxopiperazine-1-carbonyl)cyclohexane-1-carboxylic acid (PubChem CID 64694555) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 4-(4-methyl-3-oxopiperazine-1-carbonyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(4-methyl-3-oxopiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
PubChem CID64694555
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name4-(4-methyl-3-oxopiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
SMILESCN1CCN(C(=O)C2CCC(C(=O)O)CC2)CC1=O
InChIInChI=1S/C13H20N2O4/c1-14-6-7-15(8-11(14)16)12(17)9-2-4-10(5-3-9)13(18)19/h9-10H,2-8H2,1H3,(H,18,19)
InChIKeySMTUKAGRFFNPFO-UHFFFAOYSA-N
XLogP0.18
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-3-oxopiperazine-1-carbonyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(4-methyl-3-oxopiperazine-1-carbonyl)cyclohexane-1-carboxylic acid (CID 64694555) is 4-(4-methyl-3-oxopiperazine-1-carbonyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(4-methyl-3-oxopiperazine-1-carbonyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(4-methyl-3-oxopiperazine-1-carbonyl)cyclohexane-1-carboxylic acid is CN1CCN(C(=O)C2CCC(C(=O)O)CC2)CC1=O.
What is the InChIKey of 4-(4-methyl-3-oxopiperazine-1-carbonyl)cyclohexane-1-carboxylic acid?
The InChIKey is SMTUKAGRFFNPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-14-6-7-15(8-11(14)16)12(17)9-2-4-10(5-3-9)13(18)19/h9-10H,2-8H2,1H3,(H,18,19).
What are the key properties of 4-(4-methyl-3-oxopiperazine-1-carbonyl)cyclohexane-1-carboxylic acid?
4-(4-methyl-3-oxopiperazine-1-carbonyl)cyclohexane-1-carboxylic acid has a molecular weight of 268.31 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-3-oxopiperazine-1-carbonyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 64694555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).