1-[4-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]piperazin-1-yl]propan-2-one

C20H26N4O — CID 71719440

IUPAC1-[4-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]piperazin-1-yl]propan-2-one
SMILESCC(=O)CN1CCN(CCc2ccc(-c3cccc(N)n3)cc2)CC1
InChIInChI=1S/C20H26N4O/c1-16(25)15-24-13-11-23(12-14-24)10-9-17-5-7-18(8-6-17)19-3-2-4-20(21)22-19/h2-8H,9-15H2,1H3,(H2,21,22)
InChIKeyIXZAZBWJQHWVHS-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.08
Rot. Bonds6

About 1-[4-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]piperazin-1-yl]propan-2-one

1-[4-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]piperazin-1-yl]propan-2-one (PubChem CID 71719440) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 1-[4-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]piperazin-1-yl]propan-2-one.

Molecular Properties

Compound Name1-[4-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]piperazin-1-yl]propan-2-one
PubChem CID71719440
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name1-[4-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]piperazin-1-yl]propan-2-one
SMILESCC(=O)CN1CCN(CCc2ccc(-c3cccc(N)n3)cc2)CC1
InChIInChI=1S/C20H26N4O/c1-16(25)15-24-13-11-23(12-14-24)10-9-17-5-7-18(8-6-17)19-3-2-4-20(21)22-19/h2-8H,9-15H2,1H3,(H2,21,22)
InChIKeyIXZAZBWJQHWVHS-UHFFFAOYSA-N
XLogP2.08
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]piperazin-1-yl]propan-2-one?
The IUPAC name of 1-[4-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]piperazin-1-yl]propan-2-one (CID 71719440) is 1-[4-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]piperazin-1-yl]propan-2-one.
What is the SMILES notation for 1-[4-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]piperazin-1-yl]propan-2-one?
The canonical SMILES for 1-[4-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]piperazin-1-yl]propan-2-one is CC(=O)CN1CCN(CCc2ccc(-c3cccc(N)n3)cc2)CC1.
What is the InChIKey of 1-[4-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]piperazin-1-yl]propan-2-one?
The InChIKey is IXZAZBWJQHWVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-16(25)15-24-13-11-23(12-14-24)10-9-17-5-7-18(8-6-17)19-3-2-4-20(21)22-19/h2-8H,9-15H2,1H3,(H2,21,22).
What are the key properties of 1-[4-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]piperazin-1-yl]propan-2-one?
1-[4-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]piperazin-1-yl]propan-2-one has a molecular weight of 338.46 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]piperazin-1-yl]propan-2-one is sourced from PubChem (CID 71719440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).