1-[4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-3-pyridin-4-ylpropan-1-one

C20H25N3O2 — CID 70772439

IUPAC1-[4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-3-pyridin-4-ylpropan-1-one
SMILESCOc1ccc(N2CCN(C(=O)CCc3ccncc3)C(C)C2)cc1
InChIInChI=1S/C20H25N3O2/c1-16-15-22(18-4-6-19(25-2)7-5-18)13-14-23(16)20(24)8-3-17-9-11-21-12-10-17/h4-7,9-12,16H,3,8,13-15H2,1-2H3
InChIKeyCYLKPIHOZBEXIA-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.76
Rot. Bonds5

About 1-[4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-3-pyridin-4-ylpropan-1-one

1-[4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-3-pyridin-4-ylpropan-1-one (PubChem CID 70772439) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-[4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-3-pyridin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-[4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-3-pyridin-4-ylpropan-1-one
PubChem CID70772439
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name1-[4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-3-pyridin-4-ylpropan-1-one
SMILESCOc1ccc(N2CCN(C(=O)CCc3ccncc3)C(C)C2)cc1
InChIInChI=1S/C20H25N3O2/c1-16-15-22(18-4-6-19(25-2)7-5-18)13-14-23(16)20(24)8-3-17-9-11-21-12-10-17/h4-7,9-12,16H,3,8,13-15H2,1-2H3
InChIKeyCYLKPIHOZBEXIA-UHFFFAOYSA-N
XLogP2.76
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-(4-methoxyphenyl)-1-[4-[3-(4-methoxyphenyl)propanoyl]-2,5-dimethylpiperazin-1-yl]propan-1-one
CID 4229113
3-imidazo[1,2-a]pyridin-2-yl-1-[(2S)-4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]propan-1-one
CID 95889415
3-imidazo[1,2-a]pyridin-2-yl-1-[(2R)-4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]propan-1-one
CID 95889414
1-[3-[4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-3-oxopropyl]pyridin-2-one
CID 70719150
1-[4-(4-methoxyphenyl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 136529409
3-[4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-N-(3-methylphenyl)-3-oxopropanamide
CID 131944338
[(2R)-4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-(2-pyridin-2-ylpyrimidin-5-yl)methanone
CID 95872818
ethyl 2-amino-4-[4-[3-(4-methoxyphenyl)propanoyl]-3-methylpiperazin-1-yl]thieno[2,3-d]pyrimidine-5-carboxylate
CID 121482073
1-[2-methyl-4-(4-methylphenyl)piperazin-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one
CID 70787803
(2R)-4-[4-(2-methoxyethoxy)phenyl]-2-methylpiperazine-1-carboxylic acid
CID 166758998
1-[(2R,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 129481460
[4-(4-methoxyphenyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 1244092

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-3-pyridin-4-ylpropan-1-one?
The IUPAC name of 1-[4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-3-pyridin-4-ylpropan-1-one (CID 70772439) is 1-[4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-3-pyridin-4-ylpropan-1-one.
What is the SMILES notation for 1-[4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-3-pyridin-4-ylpropan-1-one?
The canonical SMILES for 1-[4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-3-pyridin-4-ylpropan-1-one is COc1ccc(N2CCN(C(=O)CCc3ccncc3)C(C)C2)cc1.
What is the InChIKey of 1-[4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-3-pyridin-4-ylpropan-1-one?
The InChIKey is CYLKPIHOZBEXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-16-15-22(18-4-6-19(25-2)7-5-18)13-14-23(16)20(24)8-3-17-9-11-21-12-10-17/h4-7,9-12,16H,3,8,13-15H2,1-2H3.
What are the key properties of 1-[4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-3-pyridin-4-ylpropan-1-one?
1-[4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-3-pyridin-4-ylpropan-1-one has a molecular weight of 339.44 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-3-pyridin-4-ylpropan-1-one is sourced from PubChem (CID 70772439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).