1-(4-methylpiperazin-1-yl)-2-phenyl-3-pyridin-4-ylpropan-1-one

C19H23N3O — CID 71451569

IUPAC1-(4-methylpiperazin-1-yl)-2-phenyl-3-pyridin-4-ylpropan-1-one
SMILESCN1CCN(C(=O)C(Cc2ccncc2)c2ccccc2)CC1
InChIInChI=1S/C19H23N3O/c1-21-11-13-22(14-12-21)19(23)18(17-5-3-2-4-6-17)15-16-7-9-20-10-8-16/h2-10,18H,11-15H2,1H3
InChIKeyPQCLKSFSHAJVDZ-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.18
Rot. Bonds4

About 1-(4-methylpiperazin-1-yl)-2-phenyl-3-pyridin-4-ylpropan-1-one

1-(4-methylpiperazin-1-yl)-2-phenyl-3-pyridin-4-ylpropan-1-one (PubChem CID 71451569) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-2-phenyl-3-pyridin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-2-phenyl-3-pyridin-4-ylpropan-1-one
PubChem CID71451569
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name1-(4-methylpiperazin-1-yl)-2-phenyl-3-pyridin-4-ylpropan-1-one
SMILESCN1CCN(C(=O)C(Cc2ccncc2)c2ccccc2)CC1
InChIInChI=1S/C19H23N3O/c1-21-11-13-22(14-12-21)19(23)18(17-5-3-2-4-6-17)15-16-7-9-20-10-8-16/h2-10,18H,11-15H2,1H3
InChIKeyPQCLKSFSHAJVDZ-UHFFFAOYSA-N
XLogP2.18
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-2-phenyl-3-pyridin-4-ylpropan-1-one?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-2-phenyl-3-pyridin-4-ylpropan-1-one (CID 71451569) is 1-(4-methylpiperazin-1-yl)-2-phenyl-3-pyridin-4-ylpropan-1-one.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-2-phenyl-3-pyridin-4-ylpropan-1-one?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-2-phenyl-3-pyridin-4-ylpropan-1-one is CN1CCN(C(=O)C(Cc2ccncc2)c2ccccc2)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-2-phenyl-3-pyridin-4-ylpropan-1-one?
The InChIKey is PQCLKSFSHAJVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-21-11-13-22(14-12-21)19(23)18(17-5-3-2-4-6-17)15-16-7-9-20-10-8-16/h2-10,18H,11-15H2,1H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-2-phenyl-3-pyridin-4-ylpropan-1-one?
1-(4-methylpiperazin-1-yl)-2-phenyl-3-pyridin-4-ylpropan-1-one has a molecular weight of 309.41 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-2-phenyl-3-pyridin-4-ylpropan-1-one is sourced from PubChem (CID 71451569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).