1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylbutan-1-one

C21H26N2O2 — CID 2904015

IUPAC1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylbutan-1-one
SMILESCCC(C(=O)N1CCN(c2ccccc2OC)CC1)c1ccccc1
InChIInChI=1S/C21H26N2O2/c1-3-18(17-9-5-4-6-10-17)21(24)23-15-13-22(14-16-23)19-11-7-8-12-20(19)25-2/h4-12,18H,3,13-16H2,1-2H3
InChIKeyVGLVNNUHMZBMOM-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.54
Rot. Bonds5

About 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylbutan-1-one

1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylbutan-1-one (PubChem CID 2904015) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylbutan-1-one.

Molecular Properties

Compound Name1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylbutan-1-one
PubChem CID2904015
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylbutan-1-one
SMILESCCC(C(=O)N1CCN(c2ccccc2OC)CC1)c1ccccc1
InChIInChI=1S/C21H26N2O2/c1-3-18(17-9-5-4-6-10-17)21(24)23-15-13-22(14-16-23)19-11-7-8-12-20(19)25-2/h4-12,18H,3,13-16H2,1-2H3
InChIKeyVGLVNNUHMZBMOM-UHFFFAOYSA-N
XLogP3.54
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Fluanisone
CID 15139
AR-C-239
CID 609483
2-Naphthalenecarboxamide, N-(4-(4-(2-methoxyphenyl)-1-piperazinyl)butyl)-
CID 3038495
GR-103691
CID 4302960
Nan 190
CID 4431
Mazapertine
CID 60820
N-(1,1-Dimethylethyl)-4-(2-methoxyphenyl)-alpha-phenyl-1-piperazinepropanamide
CID 115111
2-(4-(4-(2-Methoxyphenyl)-1-piperazinyl)butyl)-1H-isoindole-1,3(2H)-dione hydrobromide (1:1)
CID 107966
8-(2-(4-(2-Methoxyphenyl)-1-piperazinyl)ethyl)-8-azaspiro(4.5)decane-7,9-dione
CID 2419
Bmy-7378
CID 210172
(2S)-N-tert-butyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylpropanamide
CID 6604840
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexanecarboxamide
CID 9819571

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylbutan-1-one?
The IUPAC name of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylbutan-1-one (CID 2904015) is 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylbutan-1-one.
What is the SMILES notation for 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylbutan-1-one?
The canonical SMILES for 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylbutan-1-one is CCC(C(=O)N1CCN(c2ccccc2OC)CC1)c1ccccc1.
What is the InChIKey of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylbutan-1-one?
The InChIKey is VGLVNNUHMZBMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-3-18(17-9-5-4-6-10-17)21(24)23-15-13-22(14-16-23)19-11-7-8-12-20(19)25-2/h4-12,18H,3,13-16H2,1-2H3.
What are the key properties of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylbutan-1-one?
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylbutan-1-one has a molecular weight of 338.45 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylbutan-1-one is sourced from PubChem (CID 2904015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).