1-methyl-5-[(3-propan-2-ylimidazol-4-yl)methylamino]piperidin-2-one

C13H22N4O — CID 66163592

IUPAC1-methyl-5-[(3-propan-2-ylimidazol-4-yl)methylamino]piperidin-2-one
SMILESCC(C)n1cncc1CNC1CCC(=O)N(C)C1
InChIInChI=1S/C13H22N4O/c1-10(2)17-9-14-6-12(17)7-15-11-4-5-13(18)16(3)8-11/h6,9-11,15H,4-5,7-8H2,1-3H3
InChIKeyZKPOELOAAAWKBX-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.17
Rot. Bonds4

About 1-methyl-5-[(3-propan-2-ylimidazol-4-yl)methylamino]piperidin-2-one

1-methyl-5-[(3-propan-2-ylimidazol-4-yl)methylamino]piperidin-2-one (PubChem CID 66163592) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-methyl-5-[(3-propan-2-ylimidazol-4-yl)methylamino]piperidin-2-one.

Molecular Properties

Compound Name1-methyl-5-[(3-propan-2-ylimidazol-4-yl)methylamino]piperidin-2-one
PubChem CID66163592
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name1-methyl-5-[(3-propan-2-ylimidazol-4-yl)methylamino]piperidin-2-one
SMILESCC(C)n1cncc1CNC1CCC(=O)N(C)C1
InChIInChI=1S/C13H22N4O/c1-10(2)17-9-14-6-12(17)7-15-11-4-5-13(18)16(3)8-11/h6,9-11,15H,4-5,7-8H2,1-3H3
InChIKeyZKPOELOAAAWKBX-UHFFFAOYSA-N
XLogP1.17
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(3-propan-2-ylimidazol-4-yl)methylamino]piperidin-2-one?
The IUPAC name of 1-methyl-5-[(3-propan-2-ylimidazol-4-yl)methylamino]piperidin-2-one (CID 66163592) is 1-methyl-5-[(3-propan-2-ylimidazol-4-yl)methylamino]piperidin-2-one.
What is the SMILES notation for 1-methyl-5-[(3-propan-2-ylimidazol-4-yl)methylamino]piperidin-2-one?
The canonical SMILES for 1-methyl-5-[(3-propan-2-ylimidazol-4-yl)methylamino]piperidin-2-one is CC(C)n1cncc1CNC1CCC(=O)N(C)C1.
What is the InChIKey of 1-methyl-5-[(3-propan-2-ylimidazol-4-yl)methylamino]piperidin-2-one?
The InChIKey is ZKPOELOAAAWKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10(2)17-9-14-6-12(17)7-15-11-4-5-13(18)16(3)8-11/h6,9-11,15H,4-5,7-8H2,1-3H3.
What are the key properties of 1-methyl-5-[(3-propan-2-ylimidazol-4-yl)methylamino]piperidin-2-one?
1-methyl-5-[(3-propan-2-ylimidazol-4-yl)methylamino]piperidin-2-one has a molecular weight of 250.35 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(3-propan-2-ylimidazol-4-yl)methylamino]piperidin-2-one is sourced from PubChem (CID 66163592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).