4-(piperazine-1-carbonyl)cyclohexane-1-carboxylic acid

C12H20N2O3 — CID 63783984

IUPAC4-(piperazine-1-carbonyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)N2CCNCC2)CC1
InChIInChI=1S/C12H20N2O3/c15-11(14-7-5-13-6-8-14)9-1-3-10(4-2-9)12(16)17/h9-10,13H,1-8H2,(H,16,17)
InChIKeyZXVJCGPNCXIZLN-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.31
Rot. Bonds2

About 4-(piperazine-1-carbonyl)cyclohexane-1-carboxylic acid

4-(piperazine-1-carbonyl)cyclohexane-1-carboxylic acid (PubChem CID 63783984) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 4-(piperazine-1-carbonyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(piperazine-1-carbonyl)cyclohexane-1-carboxylic acid
PubChem CID63783984
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name4-(piperazine-1-carbonyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)N2CCNCC2)CC1
InChIInChI=1S/C12H20N2O3/c15-11(14-7-5-13-6-8-14)9-1-3-10(4-2-9)12(16)17/h9-10,13H,1-8H2,(H,16,17)
InChIKeyZXVJCGPNCXIZLN-UHFFFAOYSA-N
XLogP0.31
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(piperazine-1-carbonyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(piperazine-1-carbonyl)cyclohexane-1-carboxylic acid (CID 63783984) is 4-(piperazine-1-carbonyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(piperazine-1-carbonyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(piperazine-1-carbonyl)cyclohexane-1-carboxylic acid is O=C(O)C1CCC(C(=O)N2CCNCC2)CC1.
What is the InChIKey of 4-(piperazine-1-carbonyl)cyclohexane-1-carboxylic acid?
The InChIKey is ZXVJCGPNCXIZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c15-11(14-7-5-13-6-8-14)9-1-3-10(4-2-9)12(16)17/h9-10,13H,1-8H2,(H,16,17).
What are the key properties of 4-(piperazine-1-carbonyl)cyclohexane-1-carboxylic acid?
4-(piperazine-1-carbonyl)cyclohexane-1-carboxylic acid has a molecular weight of 240.30 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperazine-1-carbonyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63783984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).