4-(2-piperazin-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid

C14H25N3O3 — CID 63782798

IUPAC4-(2-piperazin-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NCCN2CCNCC2)CC1
InChIInChI=1S/C14H25N3O3/c18-13(11-1-3-12(4-2-11)14(19)20)16-7-10-17-8-5-15-6-9-17/h11-12,15H,1-10H2,(H,16,18)(H,19,20)
InChIKeyXGOJPNPWKPROCL-UHFFFAOYSA-N
MW283.37 g/mol
LogP-0.10
Rot. Bonds5

About 4-(2-piperazin-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid

4-(2-piperazin-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid (PubChem CID 63782798) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 4-(2-piperazin-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-piperazin-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
PubChem CID63782798
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name4-(2-piperazin-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NCCN2CCNCC2)CC1
InChIInChI=1S/C14H25N3O3/c18-13(11-1-3-12(4-2-11)14(19)20)16-7-10-17-8-5-15-6-9-17/h11-12,15H,1-10H2,(H,16,18)(H,19,20)
InChIKeyXGOJPNPWKPROCL-UHFFFAOYSA-N
XLogP-0.10
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-piperazin-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(2-piperazin-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid (CID 63782798) is 4-(2-piperazin-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(2-piperazin-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(2-piperazin-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid is O=C(O)C1CCC(C(=O)NCCN2CCNCC2)CC1.
What is the InChIKey of 4-(2-piperazin-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid?
The InChIKey is XGOJPNPWKPROCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c18-13(11-1-3-12(4-2-11)14(19)20)16-7-10-17-8-5-15-6-9-17/h11-12,15H,1-10H2,(H,16,18)(H,19,20).
What are the key properties of 4-(2-piperazin-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid?
4-(2-piperazin-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of -0.10, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-piperazin-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63782798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).