1-[4-(1-aminobutan-2-yl)piperazin-1-yl]-3-phenylpropan-1-one

C17H27N3O — CID 63337793

IUPAC1-[4-(1-aminobutan-2-yl)piperazin-1-yl]-3-phenylpropan-1-one
SMILESCCC(CN)N1CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C17H27N3O/c1-2-16(14-18)19-10-12-20(13-11-19)17(21)9-8-15-6-4-3-5-7-15/h3-7,16H,2,8-14,18H2,1H3
InChIKeyXUISDPMXEQZBLC-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.50
Rot. Bonds6

About 1-[4-(1-aminobutan-2-yl)piperazin-1-yl]-3-phenylpropan-1-one

1-[4-(1-aminobutan-2-yl)piperazin-1-yl]-3-phenylpropan-1-one (PubChem CID 63337793) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-[4-(1-aminobutan-2-yl)piperazin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[4-(1-aminobutan-2-yl)piperazin-1-yl]-3-phenylpropan-1-one
PubChem CID63337793
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name1-[4-(1-aminobutan-2-yl)piperazin-1-yl]-3-phenylpropan-1-one
SMILESCCC(CN)N1CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C17H27N3O/c1-2-16(14-18)19-10-12-20(13-11-19)17(21)9-8-15-6-4-3-5-7-15/h3-7,16H,2,8-14,18H2,1H3
InChIKeyXUISDPMXEQZBLC-UHFFFAOYSA-N
XLogP1.50
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenyl-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 48867078
2-[4-(3-phenylpropanoyl)piperazin-1-yl]propanoic acid
CID 62317075
1-(4-benzhydrylpiperazin-1-yl)-3-phenylpropan-1-one
CID 2849742
4-(3-phenylpropanoyl)piperazine-1-carboxamide
CID 57085481
ethane;1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 90907944
[4-(1-aminobutan-2-yl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 63337883
1-[4-(1-aminopentan-2-yl)piperazin-1-yl]-3-(furan-2-yl)propan-1-one
CID 63340908
2-methyl-3-[4-(3-phenylpropanoyl)piperazin-1-yl]propanoic acid
CID 82322943
[4-(1-aminobutan-2-yl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 55201001
methyl (2S)-2-(2-chlorophenyl)-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetate
CID 25471955
1-morpholin-4-yl-3-phenylpropan-1-one
CID 532825
2-cyclopentyl-N-ethyl-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide
CID 46024721

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminobutan-2-yl)piperazin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[4-(1-aminobutan-2-yl)piperazin-1-yl]-3-phenylpropan-1-one (CID 63337793) is 1-[4-(1-aminobutan-2-yl)piperazin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[4-(1-aminobutan-2-yl)piperazin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[4-(1-aminobutan-2-yl)piperazin-1-yl]-3-phenylpropan-1-one is CCC(CN)N1CCN(C(=O)CCc2ccccc2)CC1.
What is the InChIKey of 1-[4-(1-aminobutan-2-yl)piperazin-1-yl]-3-phenylpropan-1-one?
The InChIKey is XUISDPMXEQZBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-2-16(14-18)19-10-12-20(13-11-19)17(21)9-8-15-6-4-3-5-7-15/h3-7,16H,2,8-14,18H2,1H3.
What are the key properties of 1-[4-(1-aminobutan-2-yl)piperazin-1-yl]-3-phenylpropan-1-one?
1-[4-(1-aminobutan-2-yl)piperazin-1-yl]-3-phenylpropan-1-one has a molecular weight of 289.42 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-aminobutan-2-yl)piperazin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 63337793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).