1-(3-methylpiperazin-1-yl)-2-phenoxy-2-phenylethanone

C19H22N2O2 — CID 119578300

IUPAC1-(3-methylpiperazin-1-yl)-2-phenoxy-2-phenylethanone
SMILESCC1CN(C(=O)C(Oc2ccccc2)c2ccccc2)CCN1
InChIInChI=1S/C19H22N2O2/c1-15-14-21(13-12-20-15)19(22)18(16-8-4-2-5-9-16)23-17-10-6-3-7-11-17/h2-11,15,18,20H,12-14H2,1H3
InChIKeyHLSZUNHKJGEUBK-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.63
Rot. Bonds4

About 1-(3-methylpiperazin-1-yl)-2-phenoxy-2-phenylethanone

1-(3-methylpiperazin-1-yl)-2-phenoxy-2-phenylethanone (PubChem CID 119578300) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-(3-methylpiperazin-1-yl)-2-phenoxy-2-phenylethanone.

Molecular Properties

Compound Name1-(3-methylpiperazin-1-yl)-2-phenoxy-2-phenylethanone
PubChem CID119578300
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name1-(3-methylpiperazin-1-yl)-2-phenoxy-2-phenylethanone
SMILESCC1CN(C(=O)C(Oc2ccccc2)c2ccccc2)CCN1
InChIInChI=1S/C19H22N2O2/c1-15-14-21(13-12-20-15)19(22)18(16-8-4-2-5-9-16)23-17-10-6-3-7-11-17/h2-11,15,18,20H,12-14H2,1H3
InChIKeyHLSZUNHKJGEUBK-UHFFFAOYSA-N
XLogP2.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylpiperazin-1-yl)-2-phenylbutan-1-one;hydrochloride
CID 119579782
(3R)-1-[(2R)-2-phenoxy-2-phenylacetyl]pyrrolidine-3-carboxamide
CID 95580293
2-methyl-1-(3-methylpiperazin-1-yl)-4-phenoxybutan-1-one;hydrochloride
CID 119580316
1-(3-methylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)-2-phenylethanone
CID 119579647
3-methyl-1-(2-phenoxy-2-phenylacetyl)pyrrolidine-3-carboxylic acid
CID 119256533
(2R)-2-(3-aminophenoxy)-1-[(3R)-3-methylpiperazin-1-yl]propan-1-one
CID 100616782
N-[(3R)-1-[(2R)-2-phenoxy-2-phenylacetyl]pyrrolidin-3-yl]propane-1-sulfonamide
CID 95300634
(3S)-3-methyl-N-phenylpiperazine-1-carboxamide;hydrochloride
CID 166001504
1-(2,2-dimethylmorpholin-4-yl)-2-phenoxy-2-phenylethanone
CID 55763984
2-(4-methylsulfonylphenoxy)-2-phenyl-1-pyrrolidin-1-ylethanone
CID 51210306
N-[1-(3-methylpiperazin-1-yl)-1-oxopentan-2-yl]-2-phenylacetamide
CID 119577162
2-phenoxy-2-phenyl-1-(4-pyrrolidin-1-ylsulfonylpiperidin-1-yl)ethanone
CID 138992541

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpiperazin-1-yl)-2-phenoxy-2-phenylethanone?
The IUPAC name of 1-(3-methylpiperazin-1-yl)-2-phenoxy-2-phenylethanone (CID 119578300) is 1-(3-methylpiperazin-1-yl)-2-phenoxy-2-phenylethanone.
What is the SMILES notation for 1-(3-methylpiperazin-1-yl)-2-phenoxy-2-phenylethanone?
The canonical SMILES for 1-(3-methylpiperazin-1-yl)-2-phenoxy-2-phenylethanone is CC1CN(C(=O)C(Oc2ccccc2)c2ccccc2)CCN1.
What is the InChIKey of 1-(3-methylpiperazin-1-yl)-2-phenoxy-2-phenylethanone?
The InChIKey is HLSZUNHKJGEUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-15-14-21(13-12-20-15)19(22)18(16-8-4-2-5-9-16)23-17-10-6-3-7-11-17/h2-11,15,18,20H,12-14H2,1H3.
What are the key properties of 1-(3-methylpiperazin-1-yl)-2-phenoxy-2-phenylethanone?
1-(3-methylpiperazin-1-yl)-2-phenoxy-2-phenylethanone has a molecular weight of 310.40 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpiperazin-1-yl)-2-phenoxy-2-phenylethanone is sourced from PubChem (CID 119578300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).