4-(3-aminobutoxy)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one

C15H31N3O2 — CID 130204264

IUPAC4-(3-aminobutoxy)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one
SMILESCC(N)CCOC(C)(C)C(=O)CCN1CCN(C)CC1
InChIInChI=1S/C15H31N3O2/c1-13(16)6-12-20-15(2,3)14(19)5-7-18-10-8-17(4)9-11-18/h13H,5-12,16H2,1-4H3
InChIKeyDCDXLOCCZGCOAF-UHFFFAOYSA-N
MW285.43 g/mol
LogP0.73
Rot. Bonds8

About 4-(3-aminobutoxy)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one

4-(3-aminobutoxy)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one (PubChem CID 130204264) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is 4-(3-aminobutoxy)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one.

Molecular Properties

Compound Name4-(3-aminobutoxy)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one
PubChem CID130204264
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Name4-(3-aminobutoxy)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one
SMILESCC(N)CCOC(C)(C)C(=O)CCN1CCN(C)CC1
InChIInChI=1S/C15H31N3O2/c1-13(16)6-12-20-15(2,3)14(19)5-7-18-10-8-17(4)9-11-18/h13H,5-12,16H2,1-4H3
InChIKeyDCDXLOCCZGCOAF-UHFFFAOYSA-N
XLogP0.73
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-aminobutoxy)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one?
The IUPAC name of 4-(3-aminobutoxy)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one (CID 130204264) is 4-(3-aminobutoxy)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one.
What is the SMILES notation for 4-(3-aminobutoxy)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one?
The canonical SMILES for 4-(3-aminobutoxy)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one is CC(N)CCOC(C)(C)C(=O)CCN1CCN(C)CC1.
What is the InChIKey of 4-(3-aminobutoxy)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one?
The InChIKey is DCDXLOCCZGCOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-13(16)6-12-20-15(2,3)14(19)5-7-18-10-8-17(4)9-11-18/h13H,5-12,16H2,1-4H3.
What are the key properties of 4-(3-aminobutoxy)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one?
4-(3-aminobutoxy)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one has a molecular weight of 285.43 g/mol, XLogP of 0.73, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminobutoxy)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one is sourced from PubChem (CID 130204264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).