1-(cyclohexylcarbamoyl)-5-oxopiperazine-2-carboxylic acid

C12H19N3O4 — CID 107435082

IUPAC1-(cyclohexylcarbamoyl)-5-oxopiperazine-2-carboxylic acid
SMILESO=C1CN(C(=O)NC2CCCCC2)C(C(=O)O)CN1
InChIInChI=1S/C12H19N3O4/c16-10-7-15(9(6-13-10)11(17)18)12(19)14-8-4-2-1-3-5-8/h8-9H,1-7H2,(H,13,16)(H,14,19)(H,17,18)
InChIKeyOUHHXSVJGBYGSY-UHFFFAOYSA-N
MW269.30 g/mol
LogP-0.09
Rot. Bonds2

About 1-(cyclohexylcarbamoyl)-5-oxopiperazine-2-carboxylic acid

1-(cyclohexylcarbamoyl)-5-oxopiperazine-2-carboxylic acid (PubChem CID 107435082) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-(cyclohexylcarbamoyl)-5-oxopiperazine-2-carboxylic acid.

Molecular Properties

Compound Name1-(cyclohexylcarbamoyl)-5-oxopiperazine-2-carboxylic acid
PubChem CID107435082
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name1-(cyclohexylcarbamoyl)-5-oxopiperazine-2-carboxylic acid
SMILESO=C1CN(C(=O)NC2CCCCC2)C(C(=O)O)CN1
InChIInChI=1S/C12H19N3O4/c16-10-7-15(9(6-13-10)11(17)18)12(19)14-8-4-2-1-3-5-8/h8-9H,1-7H2,(H,13,16)(H,14,19)(H,17,18)
InChIKeyOUHHXSVJGBYGSY-UHFFFAOYSA-N
XLogP-0.09
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-methylcycloheptyl)carbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 107438930
1-[(2,2-dimethylcyclohexyl)carbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 107439003
1-[2-(cycloheptylamino)-2-oxoethyl]-5-oxopiperazine-2-carboxylic acid
CID 107439854
1-[(2,6-dioxopiperidin-3-yl)carbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 107438943
1-(cyclopropanecarbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107432929
1-(2-cyclopropylpropan-2-ylcarbamoyl)-5-oxopiperazine-2-carboxylic acid
CID 114111615
1-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 107439289
1-[2-(dimethylamino)ethylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 107437245
1-(morpholin-4-ylcarbamoyl)-5-oxopiperazine-2-carboxylic acid
CID 107439148
N-cycloheptyl-3-oxopiperazine-1-carboxamide
CID 119103460
1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 107437712
(2R)-1-(cyclopentylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 78922982

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylcarbamoyl)-5-oxopiperazine-2-carboxylic acid?
The IUPAC name of 1-(cyclohexylcarbamoyl)-5-oxopiperazine-2-carboxylic acid (CID 107435082) is 1-(cyclohexylcarbamoyl)-5-oxopiperazine-2-carboxylic acid.
What is the SMILES notation for 1-(cyclohexylcarbamoyl)-5-oxopiperazine-2-carboxylic acid?
The canonical SMILES for 1-(cyclohexylcarbamoyl)-5-oxopiperazine-2-carboxylic acid is O=C1CN(C(=O)NC2CCCCC2)C(C(=O)O)CN1.
What is the InChIKey of 1-(cyclohexylcarbamoyl)-5-oxopiperazine-2-carboxylic acid?
The InChIKey is OUHHXSVJGBYGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c16-10-7-15(9(6-13-10)11(17)18)12(19)14-8-4-2-1-3-5-8/h8-9H,1-7H2,(H,13,16)(H,14,19)(H,17,18).
What are the key properties of 1-(cyclohexylcarbamoyl)-5-oxopiperazine-2-carboxylic acid?
1-(cyclohexylcarbamoyl)-5-oxopiperazine-2-carboxylic acid has a molecular weight of 269.30 g/mol, XLogP of -0.09, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylcarbamoyl)-5-oxopiperazine-2-carboxylic acid is sourced from PubChem (CID 107435082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).