2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid

C13H21N3O4 — CID 64815431

IUPAC2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCN1CCN(C(=O)NC2CCCCC2C(=O)O)CC1=O
InChIInChI=1S/C13H21N3O4/c1-15-6-7-16(8-11(15)17)13(20)14-10-5-3-2-4-9(10)12(18)19/h9-10H,2-8H2,1H3,(H,14,20)(H,18,19)
InChIKeySUSNPLBRVQCXPQ-UHFFFAOYSA-N
MW283.33 g/mol
LogP0.11
Rot. Bonds2

About 2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid

2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 64815431) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID64815431
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Name2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCN1CCN(C(=O)NC2CCCCC2C(=O)O)CC1=O
InChIInChI=1S/C13H21N3O4/c1-15-6-7-16(8-11(15)17)13(20)14-10-5-3-2-4-9(10)12(18)19/h9-10H,2-8H2,1H3,(H,14,20)(H,18,19)
InChIKeySUSNPLBRVQCXPQ-UHFFFAOYSA-N
XLogP0.11
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azepane-1-carbonylamino)cyclohexane-1-carboxylic acid
CID 64816878
2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 102962212
cis-(1R,2S)-2-(azetidine-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 164662283
4-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79211540
2-(1,3-dihydroisoindole-2-carbonylamino)cyclohexane-1-carboxylic acid
CID 64815389
4-(2-aminocyclohexanecarbonyl)-1-methylpiperazin-2-one
CID 64693122
2-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 114679599
2-[(4-propylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 64815387
2-cyclopropyl-2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]acetic acid
CID 64693278
4-(4-methyl-3-oxopiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 64694555
4-(2-aminocyclopentanecarbonyl)-1-methylpiperazin-2-one
CID 64851070
2-[(4-tert-butylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 64817139

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 64815431) is 2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid is CN1CCN(C(=O)NC2CCCCC2C(=O)O)CC1=O.
What is the InChIKey of 2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is SUSNPLBRVQCXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-15-6-7-16(8-11(15)17)13(20)14-10-5-3-2-4-9(10)12(18)19/h9-10H,2-8H2,1H3,(H,14,20)(H,18,19).
What are the key properties of 2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 283.33 g/mol, XLogP of 0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 64815431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).