1-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]propan-1-one

C15H23N3O — CID 102546833

IUPAC1-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]propan-1-one
SMILESCCC(=O)c1ccc(N2CCN(C(C)C)CC2)nc1
InChIInChI=1S/C15H23N3O/c1-4-14(19)13-5-6-15(16-11-13)18-9-7-17(8-10-18)12(2)3/h5-6,11-12H,4,7-10H2,1-3H3
InChIKeyMSPPRENUDUWCFV-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.20
Rot. Bonds4

About 1-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]propan-1-one

1-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]propan-1-one (PubChem CID 102546833) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]propan-1-one.

Molecular Properties

Compound Name1-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]propan-1-one
PubChem CID102546833
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]propan-1-one
SMILESCCC(=O)c1ccc(N2CCN(C(C)C)CC2)nc1
InChIInChI=1S/C15H23N3O/c1-4-14(19)13-5-6-15(16-11-13)18-9-7-17(8-10-18)12(2)3/h5-6,11-12H,4,7-10H2,1-3H3
InChIKeyMSPPRENUDUWCFV-UHFFFAOYSA-N
XLogP2.20
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]propan-1-one?
The IUPAC name of 1-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]propan-1-one (CID 102546833) is 1-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]propan-1-one.
What is the SMILES notation for 1-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]propan-1-one?
The canonical SMILES for 1-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]propan-1-one is CCC(=O)c1ccc(N2CCN(C(C)C)CC2)nc1.
What is the InChIKey of 1-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]propan-1-one?
The InChIKey is MSPPRENUDUWCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-4-14(19)13-5-6-15(16-11-13)18-9-7-17(8-10-18)12(2)3/h5-6,11-12H,4,7-10H2,1-3H3.
What are the key properties of 1-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]propan-1-one?
1-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]propan-1-one has a molecular weight of 261.37 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]propan-1-one is sourced from PubChem (CID 102546833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).