3-cyclopropyl-1-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]-3-phenylpropan-1-one

C24H30N2O2 — CID 110310562

IUPAC3-cyclopropyl-1-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]-3-phenylpropan-1-one
SMILESCOc1cccc(C2CN(C(=O)CC(c3ccccc3)C3CC3)CCN2C)c1
InChIInChI=1S/C24H30N2O2/c1-25-13-14-26(17-23(25)20-9-6-10-21(15-20)28-2)24(27)16-22(19-11-12-19)18-7-4-3-5-8-18/h3-10,15,19,22-23H,11-14,16-17H2,1-2H3
InChIKeyBYIUXPVCENUZAX-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.09
Rot. Bonds6

About 3-cyclopropyl-1-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]-3-phenylpropan-1-one

3-cyclopropyl-1-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]-3-phenylpropan-1-one (PubChem CID 110310562) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 3-cyclopropyl-1-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name3-cyclopropyl-1-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]-3-phenylpropan-1-one
PubChem CID110310562
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name3-cyclopropyl-1-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]-3-phenylpropan-1-one
SMILESCOc1cccc(C2CN(C(=O)CC(c3ccccc3)C3CC3)CCN2C)c1
InChIInChI=1S/C24H30N2O2/c1-25-13-14-26(17-23(25)20-9-6-10-21(15-20)28-2)24(27)16-22(19-11-12-19)18-7-4-3-5-8-18/h3-10,15,19,22-23H,11-14,16-17H2,1-2H3
InChIKeyBYIUXPVCENUZAX-UHFFFAOYSA-N
XLogP4.09
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-3-phenylpropan-1-one
CID 110310525
2-cyclopropyl-1-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]propan-1-one
CID 110632008
1-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]butan-1-one
CID 110293250
1-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]-2-methyl-3-phenylpropan-1-one
CID 110354832
1-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 110310547
(2,6-dimethoxyphenyl)-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]methanone
CID 110293276
1-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]-5-thiophen-2-ylpentane-1,5-dione
CID 110310567
[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 110313915
1-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]-5-thiophen-2-ylpentan-1-one
CID 110310564
1-[3-(3,4-dimethoxyphenyl)-4-methylpiperazin-1-yl]-3-methylbutan-1-one
CID 110293369
1-[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]-3-phenylbutan-1-one
CID 110610580
1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 100849850

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 3-cyclopropyl-1-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]-3-phenylpropan-1-one (CID 110310562) is 3-cyclopropyl-1-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 3-cyclopropyl-1-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 3-cyclopropyl-1-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]-3-phenylpropan-1-one is COc1cccc(C2CN(C(=O)CC(c3ccccc3)C3CC3)CCN2C)c1.
What is the InChIKey of 3-cyclopropyl-1-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]-3-phenylpropan-1-one?
The InChIKey is BYIUXPVCENUZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-25-13-14-26(17-23(25)20-9-6-10-21(15-20)28-2)24(27)16-22(19-11-12-19)18-7-4-3-5-8-18/h3-10,15,19,22-23H,11-14,16-17H2,1-2H3.
What are the key properties of 3-cyclopropyl-1-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]-3-phenylpropan-1-one?
3-cyclopropyl-1-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]-3-phenylpropan-1-one has a molecular weight of 378.52 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 110310562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).