3-[1-(2-aminoethyl)imidazol-2-yl]-1-(4-hydrazinylpiperidin-1-yl)propan-1-one

C13H24N6O — CID 122448182

IUPAC3-[1-(2-aminoethyl)imidazol-2-yl]-1-(4-hydrazinylpiperidin-1-yl)propan-1-one
SMILESNCCn1ccnc1CCC(=O)N1CCC(NN)CC1
InChIInChI=1S/C13H24N6O/c14-5-9-18-10-6-16-12(18)1-2-13(20)19-7-3-11(17-15)4-8-19/h6,10-11,17H,1-5,7-9,14-15H2
InChIKeyBYQVRTGCRHDZCG-UHFFFAOYSA-N
MW280.38 g/mol
LogP-0.77
Rot. Bonds6

About 3-[1-(2-aminoethyl)imidazol-2-yl]-1-(4-hydrazinylpiperidin-1-yl)propan-1-one

3-[1-(2-aminoethyl)imidazol-2-yl]-1-(4-hydrazinylpiperidin-1-yl)propan-1-one (PubChem CID 122448182) has the molecular formula C13H24N6O and a molecular weight of 280.38 g/mol. Its IUPAC name is 3-[1-(2-aminoethyl)imidazol-2-yl]-1-(4-hydrazinylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-[1-(2-aminoethyl)imidazol-2-yl]-1-(4-hydrazinylpiperidin-1-yl)propan-1-one
PubChem CID122448182
Molecular FormulaC13H24N6O
Molecular Weight280.38 g/mol
Exact Mass280.20
IUPAC Name3-[1-(2-aminoethyl)imidazol-2-yl]-1-(4-hydrazinylpiperidin-1-yl)propan-1-one
SMILESNCCn1ccnc1CCC(=O)N1CCC(NN)CC1
InChIInChI=1S/C13H24N6O/c14-5-9-18-10-6-16-12(18)1-2-13(20)19-7-3-11(17-15)4-8-19/h6,10-11,17H,1-5,7-9,14-15H2
InChIKeyBYQVRTGCRHDZCG-UHFFFAOYSA-N
XLogP-0.77
TPSA102.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-aminoethyl)imidazol-2-yl]-1-(4-hydrazinylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3-[1-(2-aminoethyl)imidazol-2-yl]-1-(4-hydrazinylpiperidin-1-yl)propan-1-one (CID 122448182) is 3-[1-(2-aminoethyl)imidazol-2-yl]-1-(4-hydrazinylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-[1-(2-aminoethyl)imidazol-2-yl]-1-(4-hydrazinylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-[1-(2-aminoethyl)imidazol-2-yl]-1-(4-hydrazinylpiperidin-1-yl)propan-1-one is NCCn1ccnc1CCC(=O)N1CCC(NN)CC1.
What is the InChIKey of 3-[1-(2-aminoethyl)imidazol-2-yl]-1-(4-hydrazinylpiperidin-1-yl)propan-1-one?
The InChIKey is BYQVRTGCRHDZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O/c14-5-9-18-10-6-16-12(18)1-2-13(20)19-7-3-11(17-15)4-8-19/h6,10-11,17H,1-5,7-9,14-15H2.
What are the key properties of 3-[1-(2-aminoethyl)imidazol-2-yl]-1-(4-hydrazinylpiperidin-1-yl)propan-1-one?
3-[1-(2-aminoethyl)imidazol-2-yl]-1-(4-hydrazinylpiperidin-1-yl)propan-1-one has a molecular weight of 280.38 g/mol, XLogP of -0.77, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-aminoethyl)imidazol-2-yl]-1-(4-hydrazinylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 122448182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).