4-[(3,4-dimethyl-5-oxopiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid

C14H23N3O4 — CID 122024037

IUPAC4-[(3,4-dimethyl-5-oxopiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCC1CN(C(=O)NC2CCC(C(=O)O)CC2)CC(=O)N1C
InChIInChI=1S/C14H23N3O4/c1-9-7-17(8-12(18)16(9)2)14(21)15-11-5-3-10(4-6-11)13(19)20/h9-11H,3-8H2,1-2H3,(H,15,21)(H,19,20)
InChIKeyYYLHHUJQRMONLG-UHFFFAOYSA-N
MW297.36 g/mol
LogP0.50
Rot. Bonds2

About 4-[(3,4-dimethyl-5-oxopiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid

4-[(3,4-dimethyl-5-oxopiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 122024037) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is 4-[(3,4-dimethyl-5-oxopiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(3,4-dimethyl-5-oxopiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID122024037
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Name4-[(3,4-dimethyl-5-oxopiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCC1CN(C(=O)NC2CCC(C(=O)O)CC2)CC(=O)N1C
InChIInChI=1S/C14H23N3O4/c1-9-7-17(8-12(18)16(9)2)14(21)15-11-5-3-10(4-6-11)13(19)20/h9-11H,3-8H2,1-2H3,(H,15,21)(H,19,20)
InChIKeyYYLHHUJQRMONLG-UHFFFAOYSA-N
XLogP0.50
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3,4-dimethyl-5-oxopiperazine-1-carboxamide
CID 136540498
4-[[4-(2-methoxyethyl)-3-oxo-1,4-diazepane-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122024221
4-[(4-methylazepane-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63626346
4-(piperazine-1-carbonylamino)cyclohexane-1-carboxylic acid
CID 19391498
4-[(4-methoxycarbonyl-3-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 122024211
4-(5,7-dihydrobenzo[d][2]benzazepine-6-carbonylamino)cyclohexane-1-carboxylic acid
CID 122024905
3-[(2-methylmorpholine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66030812
cis-(1R,3S)-3-(azocane-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 106324241
4-[[(3S,4S)-3-methyl-4-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122023992
4-[(4-carbamoylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 61193762
1-[(3-methylcyclopentyl)carbamoyl]azetidine-3-carboxylic acid
CID 114548926
4-[(4-cyclopropylpiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 61443231

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethyl-5-oxopiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(3,4-dimethyl-5-oxopiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 122024037) is 4-[(3,4-dimethyl-5-oxopiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(3,4-dimethyl-5-oxopiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(3,4-dimethyl-5-oxopiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid is CC1CN(C(=O)NC2CCC(C(=O)O)CC2)CC(=O)N1C.
What is the InChIKey of 4-[(3,4-dimethyl-5-oxopiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is YYLHHUJQRMONLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-9-7-17(8-12(18)16(9)2)14(21)15-11-5-3-10(4-6-11)13(19)20/h9-11H,3-8H2,1-2H3,(H,15,21)(H,19,20).
What are the key properties of 4-[(3,4-dimethyl-5-oxopiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
4-[(3,4-dimethyl-5-oxopiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 297.36 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethyl-5-oxopiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122024037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).