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

C17H27N3O — CID 113073570

IUPAC1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-phenylpropan-1-one
SMILESCN(C)CCN1CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C17H27N3O/c1-18(2)10-11-19-12-14-20(15-13-19)17(21)9-8-16-6-4-3-5-7-16/h3-7H,8-15H2,1-2H3
InChIKeyQWBXNURYEFARMB-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.33
Rot. Bonds6

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

1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-phenylpropan-1-one (PubChem CID 113073570) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-phenylpropan-1-one
PubChem CID113073570
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-phenylpropan-1-one
SMILESCN(C)CCN1CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C17H27N3O/c1-18(2)10-11-19-12-14-20(15-13-19)17(21)9-8-16-6-4-3-5-7-16/h3-7H,8-15H2,1-2H3
InChIKeyQWBXNURYEFARMB-UHFFFAOYSA-N
XLogP1.33
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 113073687
ethane;1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 90907944
2-anilino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethanone
CID 62890165
3-phenyl-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 48867078
1-[4-(2-bromoethyl)-1,4-diazepan-1-yl]-3-phenylpropan-1-one
CID 80665528
1-[4-(2-chloroethyl)-1,4-diazepan-1-yl]-3-phenylpropan-1-one
CID 63393576
1-[4-(3-hydroxypropyl)-1,4-diazepan-1-yl]-3-phenylpropan-1-one
CID 111916363
2-methyl-3-[4-(3-phenylpropanoyl)piperazin-1-yl]propanoic acid
CID 82322943
N,N-dimethyl-4-(3-phenylpropanoyl)piperazine-1-sulfonamide
CID 32502208
4-(3-phenylpropanoyl)piperazine-1-carboxamide
CID 57085481
1-[4-(3-oxo-3-piperazin-1-ylpropyl)-1,4-diazepan-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 120981256
1-[4-[4-(2-methylsulfonylethyl)piperazine-1-carbonyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 56544721

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-phenylpropan-1-one (CID 113073570) is 1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-phenylpropan-1-one is CN(C)CCN1CCN(C(=O)CCc2ccccc2)CC1.
What is the InChIKey of 1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-phenylpropan-1-one?
The InChIKey is QWBXNURYEFARMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-18(2)10-11-19-12-14-20(15-13-19)17(21)9-8-16-6-4-3-5-7-16/h3-7H,8-15H2,1-2H3.
What are the key properties of 1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-phenylpropan-1-one?
1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-phenylpropan-1-one has a molecular weight of 289.42 g/mol, XLogP of 1.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 113073570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).