4-(2-amino-2-oxoethyl)-N-cyclohexylpiperazin-4-ium-1-carboxamide

C13H25N4O2+ — CID 2056603

IUPAC4-(2-amino-2-oxoethyl)-N-cyclohexylpiperazin-4-ium-1-carboxamide
SMILESNC(=O)C[NH+]1CCN(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C13H24N4O2/c14-12(18)10-16-6-8-17(9-7-16)13(19)15-11-4-2-1-3-5-11/h11H,1-10H2,(H2,14,18)(H,15,19)/p+1
InChIKeyUNZBIXIRXYCTSE-UHFFFAOYSA-O
MW269.37 g/mol
LogP-1.29
Rot. Bonds3

About 4-(2-amino-2-oxoethyl)-N-cyclohexylpiperazin-4-ium-1-carboxamide

4-(2-amino-2-oxoethyl)-N-cyclohexylpiperazin-4-ium-1-carboxamide (PubChem CID 2056603) has the molecular formula C13H25N4O2+ and a molecular weight of 269.37 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethyl)-N-cyclohexylpiperazin-4-ium-1-carboxamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethyl)-N-cyclohexylpiperazin-4-ium-1-carboxamide
PubChem CID2056603
Molecular FormulaC13H25N4O2+
Molecular Weight269.37 g/mol
Exact Mass269.20
IUPAC Name4-(2-amino-2-oxoethyl)-N-cyclohexylpiperazin-4-ium-1-carboxamide
SMILESNC(=O)C[NH+]1CCN(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C13H24N4O2/c14-12(18)10-16-6-8-17(9-7-16)13(19)15-11-4-2-1-3-5-11/h11H,1-10H2,(H2,14,18)(H,15,19)/p+1
InChIKeyUNZBIXIRXYCTSE-UHFFFAOYSA-O
XLogP-1.29
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 5-1.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-cycloheptylpiperidine-1-carboxamide
CID 54054704
1-N-cyclohexyl-4-piperidin-1-ium-1-ylpiperidine-1,4-dicarboxamide
CID 7092122
N-cyclooctyl-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110894622
N-cycloheptyl-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110894742
N-cyclohexyl-4-(3-phenylprop-2-enyl)piperazin-4-ium-1-carboxamide
CID 3564830
N-cycloheptyl-4-ethylpiperazine-1-carboxamide
CID 108988502
N-cyclohexyl-4-(cyclopentanecarbonyl)piperazine-1-carboxamide
CID 110364760
N-cyclohexyl-4-(propanoylamino)piperidine-1-carboxamide
CID 110820925
4-(4-aminobutyl)-N-cyclohexyl-1,4-diazepane-1-carboxamide
CID 43252425
N-cycloheptyl-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108990409
N-cyclopentylthiomorpholine-4-carboxamide
CID 115582925
N-cyclohexyl-2-pyrrolidin-1-ium-1-ylacetamide
CID 7479160

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethyl)-N-cyclohexylpiperazin-4-ium-1-carboxamide?
The IUPAC name of 4-(2-amino-2-oxoethyl)-N-cyclohexylpiperazin-4-ium-1-carboxamide (CID 2056603) is 4-(2-amino-2-oxoethyl)-N-cyclohexylpiperazin-4-ium-1-carboxamide.
What is the SMILES notation for 4-(2-amino-2-oxoethyl)-N-cyclohexylpiperazin-4-ium-1-carboxamide?
The canonical SMILES for 4-(2-amino-2-oxoethyl)-N-cyclohexylpiperazin-4-ium-1-carboxamide is NC(=O)C[NH+]1CCN(C(=O)NC2CCCCC2)CC1.
What is the InChIKey of 4-(2-amino-2-oxoethyl)-N-cyclohexylpiperazin-4-ium-1-carboxamide?
The InChIKey is UNZBIXIRXYCTSE-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H24N4O2/c14-12(18)10-16-6-8-17(9-7-16)13(19)15-11-4-2-1-3-5-11/h11H,1-10H2,(H2,14,18)(H,15,19)/p+1.
What are the key properties of 4-(2-amino-2-oxoethyl)-N-cyclohexylpiperazin-4-ium-1-carboxamide?
4-(2-amino-2-oxoethyl)-N-cyclohexylpiperazin-4-ium-1-carboxamide has a molecular weight of 269.37 g/mol, XLogP of -1.29, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethyl)-N-cyclohexylpiperazin-4-ium-1-carboxamide is sourced from PubChem (CID 2056603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).