1-[(4-acetylpiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid

C14H23N3O4 — CID 11580241

IUPAC1-[(4-acetylpiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCC(=O)N1CCN(C(=O)NC2(C(=O)O)CCCCC2)CC1
InChIInChI=1S/C14H23N3O4/c1-11(18)16-7-9-17(10-8-16)13(21)15-14(12(19)20)5-3-2-4-6-14/h2-10H2,1H3,(H,15,21)(H,19,20)
InChIKeyCCBJHKKKVNQYLI-UHFFFAOYSA-N
MW297.36 g/mol
LogP0.65
Rot. Bonds2

About 1-[(4-acetylpiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid

1-[(4-acetylpiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 11580241) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-[(4-acetylpiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-acetylpiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID11580241
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Name1-[(4-acetylpiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCC(=O)N1CCN(C(=O)NC2(C(=O)O)CCCCC2)CC1
InChIInChI=1S/C14H23N3O4/c1-11(18)16-7-9-17(10-8-16)13(21)15-14(12(19)20)5-3-2-4-6-14/h2-10H2,1H3,(H,15,21)(H,19,20)
InChIKeyCCBJHKKKVNQYLI-UHFFFAOYSA-N
XLogP0.65
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 ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-acetylpiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(4-acetylpiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 11580241) is 1-[(4-acetylpiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-acetylpiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(4-acetylpiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid is CC(=O)N1CCN(C(=O)NC2(C(=O)O)CCCCC2)CC1.
What is the InChIKey of 1-[(4-acetylpiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is CCBJHKKKVNQYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-11(18)16-7-9-17(10-8-16)13(21)15-14(12(19)20)5-3-2-4-6-14/h2-10H2,1H3,(H,15,21)(H,19,20).
What are the key properties of 1-[(4-acetylpiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
1-[(4-acetylpiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 297.36 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-acetylpiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 11580241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).