ethane;1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one

C18H32N2O — CID 90907944

IUPACethane;1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
SMILESCC.CC.CN1CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C14H20N2O.2C2H6/c1-15-9-11-16(12-10-15)14(17)8-7-13-5-3-2-4-6-13;2*1-2/h2-6H,7-12H2,1H3;2*1-2H3
InChIKeyXOQUTBMLLRUGME-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.45
Rot. Bonds3

About ethane;1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one

ethane;1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one (PubChem CID 90907944) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is ethane;1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one.

Molecular Properties

Compound Nameethane;1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
PubChem CID90907944
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Nameethane;1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
SMILESCC.CC.CN1CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C14H20N2O.2C2H6/c1-15-9-11-16(12-10-15)14(17)8-7-13-5-3-2-4-6-13;2*1-2/h2-6H,7-12H2,1H3;2*1-2H3
InChIKeyXOQUTBMLLRUGME-UHFFFAOYSA-N
XLogP3.45
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 10545423
1-(4-methylpiperazin-1-yl)-7-phenylheptan-1-one
CID 10827239
3-phenyl-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 48867078
4-(3-phenylpropanoyl)piperazine-1-carboxamide
CID 57085481
1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 113073570
1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 113073687
2-[4-(3-phenylpropanoyl)piperazin-1-yl]propanoic acid
CID 62317075
3-(benzylamino)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 91054439
1-morpholin-4-yl-3-phenylpropan-1-one
CID 532825
1-[4-(2-bromoethyl)-1,4-diazepan-1-yl]-3-phenylpropan-1-one
CID 80665528
1-(4-cyclopropylpiperazin-1-yl)-3-phenylpropan-1-one
CID 110708530
3-(4-methylpiperazin-1-yl)-3-oxo-N-(2-phenylethyl)propanamide
CID 108944340

Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one?
The IUPAC name of ethane;1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one (CID 90907944) is ethane;1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one.
What is the SMILES notation for ethane;1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one?
The canonical SMILES for ethane;1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one is CC.CC.CN1CCN(C(=O)CCc2ccccc2)CC1.
What is the InChIKey of ethane;1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one?
The InChIKey is XOQUTBMLLRUGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O.2C2H6/c1-15-9-11-16(12-10-15)14(17)8-7-13-5-3-2-4-6-13;2*1-2/h2-6H,7-12H2,1H3;2*1-2H3.
What are the key properties of ethane;1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one?
ethane;1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one has a molecular weight of 292.47 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one is sourced from PubChem (CID 90907944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).