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

C19H23N3O2 — CID 110389220

IUPAC1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one
SMILESCOc1ccc(N2CCN(C(=O)CCc3ccccn3)CC2)cc1
InChIInChI=1S/C19H23N3O2/c1-24-18-8-6-17(7-9-18)21-12-14-22(15-13-21)19(23)10-5-16-4-2-3-11-20-16/h2-4,6-9,11H,5,10,12-15H2,1H3
InChIKeyPFOHONKJJWRDLI-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.37
Rot. Bonds5

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

1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one (PubChem CID 110389220) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one.

Molecular Properties

Compound Name1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one
PubChem CID110389220
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one
SMILESCOc1ccc(N2CCN(C(=O)CCc3ccccn3)CC2)cc1
InChIInChI=1S/C19H23N3O2/c1-24-18-8-6-17(7-9-18)21-12-14-22(15-13-21)19(23)10-5-16-4-2-3-11-20-16/h2-4,6-9,11H,5,10,12-15H2,1H3
InChIKeyPFOHONKJJWRDLI-UHFFFAOYSA-N
XLogP2.37
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.37
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

1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-2-ylsulfanylethanone
CID 7753218
4-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 108989094
3-(2-chlorophenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 78775420
3-(2,6-dimethoxyphenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 100789580
3-pyridin-2-yl-1-pyrrolidin-1-ylpropan-1-one
CID 84583378
ethyl 4-(3-pyridin-2-ylpropanoyl)piperazine-1-carboxylate
CID 110389199
1-(4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazine
CID 134032862
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(3-phenyl-1,2-oxazol-4-yl)propan-1-one
CID 71839863
N-ethyl-4-(4-methoxyphenyl)-N'-(2-pyridin-2-ylethyl)piperazine-1-carboximidamide;hydroiodide
CID 111242080
5-(4-methoxyphenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]pentan-1-one
CID 110297855
2-(4-methoxyphenyl)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethanone;hydrochloride
CID 52984539
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(2-phenylimidazol-1-yl)propan-1-one
CID 44594645

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one?
The IUPAC name of 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one (CID 110389220) is 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one.
What is the SMILES notation for 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one?
The canonical SMILES for 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one is COc1ccc(N2CCN(C(=O)CCc3ccccn3)CC2)cc1.
What is the InChIKey of 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one?
The InChIKey is PFOHONKJJWRDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-24-18-8-6-17(7-9-18)21-12-14-22(15-13-21)19(23)10-5-16-4-2-3-11-20-16/h2-4,6-9,11H,5,10,12-15H2,1H3.
What are the key properties of 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one?
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one has a molecular weight of 325.41 g/mol, XLogP of 2.37, 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)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one is sourced from PubChem (CID 110389220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).