(2-methoxyphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone

C21H24N2O2 — CID 4177112

IUPAC(2-methoxyphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCN(CC=Cc2ccccc2)CC1
InChIInChI=1S/C21H24N2O2/c1-25-20-12-6-5-11-19(20)21(24)23-16-14-22(15-17-23)13-7-10-18-8-3-2-4-9-18/h2-12H,13-17H2,1H3
InChIKeyABCRJZSIMJUWGZ-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.17
Rot. Bonds5

About (2-methoxyphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone

(2-methoxyphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone (PubChem CID 4177112) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is (2-methoxyphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
PubChem CID4177112
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name(2-methoxyphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCN(CC=Cc2ccccc2)CC1
InChIInChI=1S/C21H24N2O2/c1-25-20-12-6-5-11-19(20)21(24)23-16-14-22(15-17-23)13-7-10-18-8-3-2-4-9-18/h2-12H,13-17H2,1H3
InChIKeyABCRJZSIMJUWGZ-UHFFFAOYSA-N
XLogP3.17
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methylphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 755573
(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 28590967
(3-hydroxy-4-methoxyphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 168948492
(2-bromo-5-methoxyphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 4807090
[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 55624001
1-[4-(2-methoxybenzoyl)piperazin-1-yl]-3,3-dimethylbutan-2-one
CID 110709738
1,3-dimethyl-5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]pyrimidine-2,4-dione
CID 84557073
4-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]fluoren-9-one
CID 23855199
2-(3,4-dimethoxyphenyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone
CID 6025296
3-(2,3-dimethoxyphenyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one
CID 9118704
N-benzyl-N-[4,5-dimethoxy-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 43889390
[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone
CID 18167660

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone?
The IUPAC name of (2-methoxyphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone (CID 4177112) is (2-methoxyphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-methoxyphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-methoxyphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone is COc1ccccc1C(=O)N1CCN(CC=Cc2ccccc2)CC1.
What is the InChIKey of (2-methoxyphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone?
The InChIKey is ABCRJZSIMJUWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-25-20-12-6-5-11-19(20)21(24)23-16-14-22(15-17-23)13-7-10-18-8-3-2-4-9-18/h2-12H,13-17H2,1H3.
What are the key properties of (2-methoxyphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone?
(2-methoxyphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone has a molecular weight of 336.44 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone is sourced from PubChem (CID 4177112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).