2-[4-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperazin-1-yl]acetic acid

C15H25N3O3 — CID 107856024

IUPAC2-[4-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(C(=O)NCCC2=CCCCC2)CC1
InChIInChI=1S/C15H25N3O3/c19-14(20)12-17-8-10-18(11-9-17)15(21)16-7-6-13-4-2-1-3-5-13/h4H,1-3,5-12H2,(H,16,21)(H,19,20)
InChIKeyGULZUCUPHUSUAN-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.29
Rot. Bonds5

About 2-[4-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperazin-1-yl]acetic acid

2-[4-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperazin-1-yl]acetic acid (PubChem CID 107856024) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-[4-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperazin-1-yl]acetic acid
PubChem CID107856024
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name2-[4-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(C(=O)NCCC2=CCCCC2)CC1
InChIInChI=1S/C15H25N3O3/c19-14(20)12-17-8-10-18(11-9-17)15(21)16-7-6-13-4-2-1-3-5-13/h4H,1-3,5-12H2,(H,16,21)(H,19,20)
InChIKeyGULZUCUPHUSUAN-UHFFFAOYSA-N
XLogP1.29
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]acetic acid
CID 82119731
N-[2-(cyclohexen-1-yl)ethyl]-4-(2-methoxyethyl)piperazine-1-carboxamide
CID 113104787
N-[2-(cyclohexen-1-yl)ethyl]-4-cyclopropylpiperazine-1-carboxamide
CID 113103397
1-[2-(cyclohepten-1-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 122010196
N-[2-(cyclohexen-1-yl)ethyl]-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113104871
1-[2-(cyclohepten-1-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122010199
5-[2-(cyclohexen-1-yl)ethylamino]-5-oxopentanoic acid
CID 2932918
2-[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]-2-oxoacetic acid
CID 82122805
N-[2-(cyclohexen-1-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110894046
1-[2-(cyclohexen-1-yl)ethylcarbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 107855976
N-[2-(cyclohexen-1-yl)ethyl]-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 113104896
2-[4-[2-(cyclohexen-1-yl)ethylcarbamothioyl]-1,4-diazepan-1-yl]-N-(2-phenylethyl)acetamide
CID 74225204

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperazin-1-yl]acetic acid (CID 107856024) is 2-[4-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperazin-1-yl]acetic acid is O=C(O)CN1CCN(C(=O)NCCC2=CCCCC2)CC1.
What is the InChIKey of 2-[4-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperazin-1-yl]acetic acid?
The InChIKey is GULZUCUPHUSUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c19-14(20)12-17-8-10-18(11-9-17)15(21)16-7-6-13-4-2-1-3-5-13/h4H,1-3,5-12H2,(H,16,21)(H,19,20).
What are the key properties of 2-[4-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperazin-1-yl]acetic acid?
2-[4-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperazin-1-yl]acetic acid has a molecular weight of 295.38 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperazin-1-yl]acetic acid is sourced from PubChem (CID 107856024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).