3-cyclopropyl-1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-3-phenylpropan-1-one

C24H30N2O2 — CID 110310525

IUPAC3-cyclopropyl-1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-3-phenylpropan-1-one
SMILESCOc1ccccc1C1CN(C(=O)CC(c2ccccc2)C2CC2)CCN1C
InChIInChI=1S/C24H30N2O2/c1-25-14-15-26(17-22(25)20-10-6-7-11-23(20)28-2)24(27)16-21(19-12-13-19)18-8-4-3-5-9-18/h3-11,19,21-22H,12-17H2,1-2H3
InChIKeyFJTQSPUVYUNCSW-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.09
Rot. Bonds6

About 3-cyclopropyl-1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-3-phenylpropan-1-one

3-cyclopropyl-1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-3-phenylpropan-1-one (PubChem CID 110310525) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 3-cyclopropyl-1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name3-cyclopropyl-1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-3-phenylpropan-1-one
PubChem CID110310525
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name3-cyclopropyl-1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-3-phenylpropan-1-one
SMILESCOc1ccccc1C1CN(C(=O)CC(c2ccccc2)C2CC2)CCN1C
InChIInChI=1S/C24H30N2O2/c1-25-14-15-26(17-22(25)20-10-6-7-11-23(20)28-2)24(27)16-21(19-12-13-19)18-8-4-3-5-9-18/h3-11,19,21-22H,12-17H2,1-2H3
InChIKeyFJTQSPUVYUNCSW-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

1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-3-methylbutan-1-one
CID 110293139
3-cyclopropyl-1-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]-3-phenylpropan-1-one
CID 110310562
2-amino-1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone
CID 110096819
1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]pentan-1-one
CID 110293138
1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone
CID 112507549
cyclopropyl-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]methanone
CID 110293137
1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-3-methylsulfonylpropan-1-one
CID 110631963
1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-2-pyrazol-1-ylethanone
CID 110098353
N,N-diethyl-3-(2-methoxyphenyl)-4-methylpiperazine-1-carboxamide
CID 110293203
1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-2-thiophen-2-ylethanone
CID 110293165
1-[(3R)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one
CID 124998291
2-(4-chloropyrazol-1-yl)-1-[(3S)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone
CID 125011182

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 3-cyclopropyl-1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-3-phenylpropan-1-one (CID 110310525) is 3-cyclopropyl-1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 3-cyclopropyl-1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 3-cyclopropyl-1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-3-phenylpropan-1-one is COc1ccccc1C1CN(C(=O)CC(c2ccccc2)C2CC2)CCN1C.
What is the InChIKey of 3-cyclopropyl-1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-3-phenylpropan-1-one?
The InChIKey is FJTQSPUVYUNCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-25-14-15-26(17-22(25)20-10-6-7-11-23(20)28-2)24(27)16-21(19-12-13-19)18-8-4-3-5-9-18/h3-11,19,21-22H,12-17H2,1-2H3.
What are the key properties of 3-cyclopropyl-1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-3-phenylpropan-1-one?
3-cyclopropyl-1-[3-(2-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-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 110310525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).