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

C15H29N3O — CID 103161385

IUPAC1-[4-(1-aminopentan-3-yl)piperazin-1-yl]-2-cyclobutylethanone
SMILESCCC(CCN)N1CCN(C(=O)CC2CCC2)CC1
InChIInChI=1S/C15H29N3O/c1-2-14(6-7-16)17-8-10-18(11-9-17)15(19)12-13-4-3-5-13/h13-14H,2-12,16H2,1H3
InChIKeyRQDZXFANPBMXKR-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.45
Rot. Bonds6

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

1-[4-(1-aminopentan-3-yl)piperazin-1-yl]-2-cyclobutylethanone (PubChem CID 103161385) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 1-[4-(1-aminopentan-3-yl)piperazin-1-yl]-2-cyclobutylethanone.

Molecular Properties

Compound Name1-[4-(1-aminopentan-3-yl)piperazin-1-yl]-2-cyclobutylethanone
PubChem CID103161385
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name1-[4-(1-aminopentan-3-yl)piperazin-1-yl]-2-cyclobutylethanone
SMILESCCC(CCN)N1CCN(C(=O)CC2CCC2)CC1
InChIInChI=1S/C15H29N3O/c1-2-14(6-7-16)17-8-10-18(11-9-17)15(19)12-13-4-3-5-13/h13-14H,2-12,16H2,1H3
InChIKeyRQDZXFANPBMXKR-UHFFFAOYSA-N
XLogP1.45
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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]butan-1-one
CID 43252123
1-[4-(1-aminopentan-3-yl)piperazin-1-yl]ethanone
CID 43367590
1-[4-(1-aminopentan-3-yl)piperazin-1-yl]-2-methoxyethanone
CID 61277957
1-[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]pentan-1-one
CID 43252176
ethyl 4-(1-aminopentan-3-yl)piperazine-1-carboxylate
CID 43252483
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-methylbutan-1-one
CID 43252147
1-[4-(1-aminopentan-3-yl)piperazin-1-yl]-3-propoxypropan-1-one
CID 62688236
2-cyclobutyl-1-(4-methylpiperazin-1-yl)ethanone
CID 103706244
2-(4-aminocyclohexyl)-1-(4-butan-2-ylpiperazin-1-yl)ethanone
CID 62783542
1-[4-(2-aminoacetyl)piperazin-1-yl]-2-cyclohexylethanone
CID 119313911

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminopentan-3-yl)piperazin-1-yl]-2-cyclobutylethanone?
The IUPAC name of 1-[4-(1-aminopentan-3-yl)piperazin-1-yl]-2-cyclobutylethanone (CID 103161385) is 1-[4-(1-aminopentan-3-yl)piperazin-1-yl]-2-cyclobutylethanone.
What is the SMILES notation for 1-[4-(1-aminopentan-3-yl)piperazin-1-yl]-2-cyclobutylethanone?
The canonical SMILES for 1-[4-(1-aminopentan-3-yl)piperazin-1-yl]-2-cyclobutylethanone is CCC(CCN)N1CCN(C(=O)CC2CCC2)CC1.
What is the InChIKey of 1-[4-(1-aminopentan-3-yl)piperazin-1-yl]-2-cyclobutylethanone?
The InChIKey is RQDZXFANPBMXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-2-14(6-7-16)17-8-10-18(11-9-17)15(19)12-13-4-3-5-13/h13-14H,2-12,16H2,1H3.
What are the key properties of 1-[4-(1-aminopentan-3-yl)piperazin-1-yl]-2-cyclobutylethanone?
1-[4-(1-aminopentan-3-yl)piperazin-1-yl]-2-cyclobutylethanone has a molecular weight of 267.42 g/mol, XLogP of 1.45, 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-cyclobutylethanone is sourced from PubChem (CID 103161385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).