3-amino-3-phenyl-1-(3,3,4-trimethylpiperazin-1-yl)propan-1-one

C16H25N3O — CID 63633887

IUPAC3-amino-3-phenyl-1-(3,3,4-trimethylpiperazin-1-yl)propan-1-one
SMILESCN1CCN(C(=O)CC(N)c2ccccc2)CC1(C)C
InChIInChI=1S/C16H25N3O/c1-16(2)12-19(10-9-18(16)3)15(20)11-14(17)13-7-5-4-6-8-13/h4-8,14H,9-12,17H2,1-3H3
InChIKeyRTHUTBXGJRWJFD-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.63
Rot. Bonds3

About 3-amino-3-phenyl-1-(3,3,4-trimethylpiperazin-1-yl)propan-1-one

3-amino-3-phenyl-1-(3,3,4-trimethylpiperazin-1-yl)propan-1-one (PubChem CID 63633887) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-amino-3-phenyl-1-(3,3,4-trimethylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-amino-3-phenyl-1-(3,3,4-trimethylpiperazin-1-yl)propan-1-one
PubChem CID63633887
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name3-amino-3-phenyl-1-(3,3,4-trimethylpiperazin-1-yl)propan-1-one
SMILESCN1CCN(C(=O)CC(N)c2ccccc2)CC1(C)C
InChIInChI=1S/C16H25N3O/c1-16(2)12-19(10-9-18(16)3)15(20)11-14(17)13-7-5-4-6-8-13/h4-8,14H,9-12,17H2,1-3H3
InChIKeyRTHUTBXGJRWJFD-UHFFFAOYSA-N
XLogP1.63
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 24701184
3-amino-1-(3-ethyl-3-methylpiperidin-1-yl)-3-phenylpropan-1-one
CID 119951631
3-amino-1-[4-(2-methoxyacetyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119949477
4-(3-amino-3-phenylpropanoyl)piperazine-1-sulfonamide
CID 61041324
2-[1-(3-amino-3-phenylpropanoyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102658133
3-amino-1-[4-(2-methylphenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119952731
3-amino-3-phenyl-1-thiomorpholin-4-ylpropan-1-one;hydrochloride
CID 71897861
3-amino-1-(3,3-dimethylmorpholin-4-yl)-3-phenylpropan-1-one
CID 61430840
(3R)-3-amino-1-[4-[2-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]ethyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 124694201
3-amino-1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-3-phenylpropan-1-one
CID 91659823
(3S)-3-amino-1-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]-3-phenylpropan-1-one
CID 99850208
3-amino-1-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-phenylpropan-1-one
CID 119953964

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-phenyl-1-(3,3,4-trimethylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-amino-3-phenyl-1-(3,3,4-trimethylpiperazin-1-yl)propan-1-one (CID 63633887) is 3-amino-3-phenyl-1-(3,3,4-trimethylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-amino-3-phenyl-1-(3,3,4-trimethylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-amino-3-phenyl-1-(3,3,4-trimethylpiperazin-1-yl)propan-1-one is CN1CCN(C(=O)CC(N)c2ccccc2)CC1(C)C.
What is the InChIKey of 3-amino-3-phenyl-1-(3,3,4-trimethylpiperazin-1-yl)propan-1-one?
The InChIKey is RTHUTBXGJRWJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-16(2)12-19(10-9-18(16)3)15(20)11-14(17)13-7-5-4-6-8-13/h4-8,14H,9-12,17H2,1-3H3.
What are the key properties of 3-amino-3-phenyl-1-(3,3,4-trimethylpiperazin-1-yl)propan-1-one?
3-amino-3-phenyl-1-(3,3,4-trimethylpiperazin-1-yl)propan-1-one has a molecular weight of 275.40 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-phenyl-1-(3,3,4-trimethylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 63633887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).