1-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]-3-phenylpropan-1-one

C19H23N3O2 — CID 171345840

IUPAC1-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]-3-phenylpropan-1-one
SMILESCOc1ccc(N2CCN(C(=O)CCc3ccccc3)CC2)nc1
InChIInChI=1S/C19H23N3O2/c1-24-17-8-9-18(20-15-17)21-11-13-22(14-12-21)19(23)10-7-16-5-3-2-4-6-16/h2-6,8-9,15H,7,10-14H2,1H3
InChIKeyLZQQTDIPZPZWKG-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.37
Rot. Bonds5

About 1-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]-3-phenylpropan-1-one

1-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]-3-phenylpropan-1-one (PubChem CID 171345840) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]-3-phenylpropan-1-one
PubChem CID171345840
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name1-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]-3-phenylpropan-1-one
SMILESCOc1ccc(N2CCN(C(=O)CCc3ccccc3)CC2)nc1
InChIInChI=1S/C19H23N3O2/c1-24-17-8-9-18(20-15-17)21-11-13-22(14-12-21)19(23)10-7-16-5-3-2-4-6-16/h2-6,8-9,15H,7,10-14H2,1H3
InChIKeyLZQQTDIPZPZWKG-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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]-3-phenylpropan-1-one (CID 171345840) is 1-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]-3-phenylpropan-1-one is COc1ccc(N2CCN(C(=O)CCc3ccccc3)CC2)nc1.
What is the InChIKey of 1-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]-3-phenylpropan-1-one?
The InChIKey is LZQQTDIPZPZWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-24-17-8-9-18(20-15-17)21-11-13-22(14-12-21)19(23)10-7-16-5-3-2-4-6-16/h2-6,8-9,15H,7,10-14H2,1H3.
What are the key properties of 1-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]-3-phenylpropan-1-one?
1-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]-3-phenylpropan-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-(5-methoxy-2-pyridinyl)piperazin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 171345840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).