1-[4-(1-aminopentan-3-yl)piperazin-1-yl]-2-methylbutan-1-one

C14H29N3O — CID 43252147

IUPAC1-[4-(1-aminopentan-3-yl)piperazin-1-yl]-2-methylbutan-1-one
SMILESCCC(C)C(=O)N1CCN(C(CC)CCN)CC1
InChIInChI=1S/C14H29N3O/c1-4-12(3)14(18)17-10-8-16(9-11-17)13(5-2)6-7-15/h12-13H,4-11,15H2,1-3H3
InChIKeyLHUNSIXJMIJRTH-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.30
Rot. Bonds6

About 1-[4-(1-aminopentan-3-yl)piperazin-1-yl]-2-methylbutan-1-one

1-[4-(1-aminopentan-3-yl)piperazin-1-yl]-2-methylbutan-1-one (PubChem CID 43252147) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 1-[4-(1-aminopentan-3-yl)piperazin-1-yl]-2-methylbutan-1-one.

Molecular Properties

Compound Name1-[4-(1-aminopentan-3-yl)piperazin-1-yl]-2-methylbutan-1-one
PubChem CID43252147
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name1-[4-(1-aminopentan-3-yl)piperazin-1-yl]-2-methylbutan-1-one
SMILESCCC(C)C(=O)N1CCN(C(CC)CCN)CC1
InChIInChI=1S/C14H29N3O/c1-4-12(3)14(18)17-10-8-16(9-11-17)13(5-2)6-7-15/h12-13H,4-11,15H2,1-3H3
InChIKeyLHUNSIXJMIJRTH-UHFFFAOYSA-N
XLogP1.30
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-(1-aminopentan-3-yl)piperazin-1-yl]-2-methylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(1-aminopentan-3-yl)piperazin-1-yl]ethanone
CID 43367590
ethyl 4-(1-aminopentan-3-yl)piperazine-1-carboxylate
CID 43252483
1-(aziridin-1-yl)-2-methylbutan-1-one
CID 131176339
1-[4-(1-aminopentan-3-yl)piperazin-1-yl]butan-1-one
CID 43252123
1-[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]propan-1-one
CID 43252178
1-[4-(1-aminopentan-3-yl)piperazin-1-yl]-2-methoxyethanone
CID 61277957
1-[4-(1-aminobutan-2-yl)piperazin-1-yl]-2-methylpropan-1-one
CID 63341069
2-[4-(1-aminopentan-3-yl)piperazin-1-yl]-N-methylpropanamide
CID 43253225
1-[4-(4-aminobutyl)piperazin-1-yl]-2-methylbutan-1-one
CID 43251822
1-[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]-2-propan-2-yloxyethanone
CID 115949134
1-[4-(1-aminopentan-3-yl)piperazin-1-yl]-2-cyclobutylethanone
CID 103161385
1-[4-(1-aminopentan-3-yl)piperazin-1-yl]-3-propoxypropan-1-one
CID 62688236

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminopentan-3-yl)piperazin-1-yl]-2-methylbutan-1-one?
The IUPAC name of 1-[4-(1-aminopentan-3-yl)piperazin-1-yl]-2-methylbutan-1-one (CID 43252147) is 1-[4-(1-aminopentan-3-yl)piperazin-1-yl]-2-methylbutan-1-one.
What is the SMILES notation for 1-[4-(1-aminopentan-3-yl)piperazin-1-yl]-2-methylbutan-1-one?
The canonical SMILES for 1-[4-(1-aminopentan-3-yl)piperazin-1-yl]-2-methylbutan-1-one is CCC(C)C(=O)N1CCN(C(CC)CCN)CC1.
What is the InChIKey of 1-[4-(1-aminopentan-3-yl)piperazin-1-yl]-2-methylbutan-1-one?
The InChIKey is LHUNSIXJMIJRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-4-12(3)14(18)17-10-8-16(9-11-17)13(5-2)6-7-15/h12-13H,4-11,15H2,1-3H3.
What are the key properties of 1-[4-(1-aminopentan-3-yl)piperazin-1-yl]-2-methylbutan-1-one?
1-[4-(1-aminopentan-3-yl)piperazin-1-yl]-2-methylbutan-1-one has a molecular weight of 255.41 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-aminopentan-3-yl)piperazin-1-yl]-2-methylbutan-1-one is sourced from PubChem (CID 43252147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).