3-(dimethylamino)-1-(3-phenylpiperazin-1-yl)propan-1-one

C15H23N3O — CID 110481652

IUPAC3-(dimethylamino)-1-(3-phenylpiperazin-1-yl)propan-1-one
SMILESCN(C)CCC(=O)N1CCNC(c2ccccc2)C1
InChIInChI=1S/C15H23N3O/c1-17(2)10-8-15(19)18-11-9-16-14(12-18)13-6-4-3-5-7-13/h3-7,14,16H,8-12H2,1-2H3
InChIKeyUYFWGDOPXCEUAB-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.11
Rot. Bonds4

About 3-(dimethylamino)-1-(3-phenylpiperazin-1-yl)propan-1-one

3-(dimethylamino)-1-(3-phenylpiperazin-1-yl)propan-1-one (PubChem CID 110481652) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-(dimethylamino)-1-(3-phenylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(dimethylamino)-1-(3-phenylpiperazin-1-yl)propan-1-one
PubChem CID110481652
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name3-(dimethylamino)-1-(3-phenylpiperazin-1-yl)propan-1-one
SMILESCN(C)CCC(=O)N1CCNC(c2ccccc2)C1
InChIInChI=1S/C15H23N3O/c1-17(2)10-8-15(19)18-11-9-16-14(12-18)13-6-4-3-5-7-13/h3-7,14,16H,8-12H2,1-2H3
InChIKeyUYFWGDOPXCEUAB-UHFFFAOYSA-N
XLogP1.11
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-1-(3-phenylpiperazin-1-yl)propan-1-one
CID 110480873
2-(methylamino)-1-(3-phenylpiperazin-1-yl)ethanone
CID 110479152
3-oxo-3-(3-phenylpiperazin-1-yl)propanenitrile
CID 110477949
1-(3-phenyl-1,4-diazepan-1-yl)propan-1-one
CID 82242997
ethyl 3-phenylpiperazine-1-carboxylate
CID 2771740
phenyl-(3-phenylpiperazin-1-yl)methanone
CID 82246904
1-[4-oxo-4-(3-phenylpiperazin-1-yl)butyl]pyrrolidin-2-one
CID 74251567
[2-(dimethylamino)-1,3-dihydroinden-2-yl]-[(3R)-3-phenylpiperazin-1-yl]methanone
CID 95730223
5,5-dimethyl-3-[2-oxo-2-(3-phenylpiperazin-1-yl)ethyl]-1,3-oxazolidine-2,4-dione;hydrochloride
CID 154899739
(E)-1-(3-phenylpiperazin-1-yl)but-2-en-1-one
CID 110478117
tert-butyl 3-phenylpiperazine-1-carboxylate
CID 2735358
3-(dimethylamino)-1-[(3R)-3-(trifluoromethyl)piperazin-1-yl]propan-1-one
CID 176837634

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-(3-phenylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-(dimethylamino)-1-(3-phenylpiperazin-1-yl)propan-1-one (CID 110481652) is 3-(dimethylamino)-1-(3-phenylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-(dimethylamino)-1-(3-phenylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-(dimethylamino)-1-(3-phenylpiperazin-1-yl)propan-1-one is CN(C)CCC(=O)N1CCNC(c2ccccc2)C1.
What is the InChIKey of 3-(dimethylamino)-1-(3-phenylpiperazin-1-yl)propan-1-one?
The InChIKey is UYFWGDOPXCEUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-17(2)10-8-15(19)18-11-9-16-14(12-18)13-6-4-3-5-7-13/h3-7,14,16H,8-12H2,1-2H3.
What are the key properties of 3-(dimethylamino)-1-(3-phenylpiperazin-1-yl)propan-1-one?
3-(dimethylamino)-1-(3-phenylpiperazin-1-yl)propan-1-one has a molecular weight of 261.37 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-(3-phenylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 110481652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).