1-[3-oxo-3-[3-(4-propan-2-ylanilino)piperidin-1-yl]propyl]piperidin-2-one

C22H33N3O2 — CID 24790758

IUPAC1-[3-oxo-3-[3-(4-propan-2-ylanilino)piperidin-1-yl]propyl]piperidin-2-one
SMILESCC(C)c1ccc(NC2CCCN(C(=O)CCN3CCCCC3=O)C2)cc1
InChIInChI=1S/C22H33N3O2/c1-17(2)18-8-10-19(11-9-18)23-20-6-5-14-25(16-20)22(27)12-15-24-13-4-3-7-21(24)26/h8-11,17,20,23H,3-7,12-16H2,1-2H3
InChIKeyHOWPSBYBLMYFKJ-UHFFFAOYSA-N
MW371.52 g/mol
LogP3.62
Rot. Bonds6

About 1-[3-oxo-3-[3-(4-propan-2-ylanilino)piperidin-1-yl]propyl]piperidin-2-one

1-[3-oxo-3-[3-(4-propan-2-ylanilino)piperidin-1-yl]propyl]piperidin-2-one (PubChem CID 24790758) has the molecular formula C22H33N3O2 and a molecular weight of 371.52 g/mol. Its IUPAC name is 1-[3-oxo-3-[3-(4-propan-2-ylanilino)piperidin-1-yl]propyl]piperidin-2-one.

Molecular Properties

Compound Name1-[3-oxo-3-[3-(4-propan-2-ylanilino)piperidin-1-yl]propyl]piperidin-2-one
PubChem CID24790758
Molecular FormulaC22H33N3O2
Molecular Weight371.52 g/mol
Exact Mass371.26
IUPAC Name1-[3-oxo-3-[3-(4-propan-2-ylanilino)piperidin-1-yl]propyl]piperidin-2-one
SMILESCC(C)c1ccc(NC2CCCN(C(=O)CCN3CCCCC3=O)C2)cc1
InChIInChI=1S/C22H33N3O2/c1-17(2)18-8-10-19(11-9-18)23-20-6-5-14-25(16-20)22(27)12-15-24-13-4-3-7-21(24)26/h8-11,17,20,23H,3-7,12-16H2,1-2H3
InChIKeyHOWPSBYBLMYFKJ-UHFFFAOYSA-N
XLogP3.62
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.52
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-oxo-3-[3-(4-propan-2-ylanilino)piperidin-1-yl]propyl]piperidin-2-one?
The IUPAC name of 1-[3-oxo-3-[3-(4-propan-2-ylanilino)piperidin-1-yl]propyl]piperidin-2-one (CID 24790758) is 1-[3-oxo-3-[3-(4-propan-2-ylanilino)piperidin-1-yl]propyl]piperidin-2-one.
What is the SMILES notation for 1-[3-oxo-3-[3-(4-propan-2-ylanilino)piperidin-1-yl]propyl]piperidin-2-one?
The canonical SMILES for 1-[3-oxo-3-[3-(4-propan-2-ylanilino)piperidin-1-yl]propyl]piperidin-2-one is CC(C)c1ccc(NC2CCCN(C(=O)CCN3CCCCC3=O)C2)cc1.
What is the InChIKey of 1-[3-oxo-3-[3-(4-propan-2-ylanilino)piperidin-1-yl]propyl]piperidin-2-one?
The InChIKey is HOWPSBYBLMYFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-17(2)18-8-10-19(11-9-18)23-20-6-5-14-25(16-20)22(27)12-15-24-13-4-3-7-21(24)26/h8-11,17,20,23H,3-7,12-16H2,1-2H3.
What are the key properties of 1-[3-oxo-3-[3-(4-propan-2-ylanilino)piperidin-1-yl]propyl]piperidin-2-one?
1-[3-oxo-3-[3-(4-propan-2-ylanilino)piperidin-1-yl]propyl]piperidin-2-one has a molecular weight of 371.52 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-oxo-3-[3-(4-propan-2-ylanilino)piperidin-1-yl]propyl]piperidin-2-one is sourced from PubChem (CID 24790758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).