2-amino-5-methoxy-1-(4-prop-2-enylpiperazin-1-yl)pentan-1-one

C13H25N3O2 — CID 81088842

IUPAC2-amino-5-methoxy-1-(4-prop-2-enylpiperazin-1-yl)pentan-1-one
SMILESC=CCN1CCN(C(=O)C(N)CCCOC)CC1
InChIInChI=1S/C13H25N3O2/c1-3-6-15-7-9-16(10-8-15)13(17)12(14)5-4-11-18-2/h3,12H,1,4-11,14H2,2H3
InChIKeyRDOWWKJJUUJIKR-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.07
Rot. Bonds7

About 2-amino-5-methoxy-1-(4-prop-2-enylpiperazin-1-yl)pentan-1-one

2-amino-5-methoxy-1-(4-prop-2-enylpiperazin-1-yl)pentan-1-one (PubChem CID 81088842) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-amino-5-methoxy-1-(4-prop-2-enylpiperazin-1-yl)pentan-1-one.

Molecular Properties

Compound Name2-amino-5-methoxy-1-(4-prop-2-enylpiperazin-1-yl)pentan-1-one
PubChem CID81088842
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name2-amino-5-methoxy-1-(4-prop-2-enylpiperazin-1-yl)pentan-1-one
SMILESC=CCN1CCN(C(=O)C(N)CCCOC)CC1
InChIInChI=1S/C13H25N3O2/c1-3-6-15-7-9-16(10-8-15)13(17)12(14)5-4-11-18-2/h3,12H,1,4-11,14H2,2H3
InChIKeyRDOWWKJJUUJIKR-UHFFFAOYSA-N
XLogP0.07
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methoxy-1-(4-prop-2-enylpiperazin-1-yl)pentan-1-one?
The IUPAC name of 2-amino-5-methoxy-1-(4-prop-2-enylpiperazin-1-yl)pentan-1-one (CID 81088842) is 2-amino-5-methoxy-1-(4-prop-2-enylpiperazin-1-yl)pentan-1-one.
What is the SMILES notation for 2-amino-5-methoxy-1-(4-prop-2-enylpiperazin-1-yl)pentan-1-one?
The canonical SMILES for 2-amino-5-methoxy-1-(4-prop-2-enylpiperazin-1-yl)pentan-1-one is C=CCN1CCN(C(=O)C(N)CCCOC)CC1.
What is the InChIKey of 2-amino-5-methoxy-1-(4-prop-2-enylpiperazin-1-yl)pentan-1-one?
The InChIKey is RDOWWKJJUUJIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-3-6-15-7-9-16(10-8-15)13(17)12(14)5-4-11-18-2/h3,12H,1,4-11,14H2,2H3.
What are the key properties of 2-amino-5-methoxy-1-(4-prop-2-enylpiperazin-1-yl)pentan-1-one?
2-amino-5-methoxy-1-(4-prop-2-enylpiperazin-1-yl)pentan-1-one has a molecular weight of 255.36 g/mol, XLogP of 0.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methoxy-1-(4-prop-2-enylpiperazin-1-yl)pentan-1-one is sourced from PubChem (CID 81088842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).