1-(piperidin-4-ylmethyl)-3-propan-2-ylimidazol-2-one

C12H21N3O — CID 80581118

IUPAC1-(piperidin-4-ylmethyl)-3-propan-2-ylimidazol-2-one
SMILESCC(C)n1ccn(CC2CCNCC2)c1=O
InChIInChI=1S/C12H21N3O/c1-10(2)15-8-7-14(12(15)16)9-11-3-5-13-6-4-11/h7-8,10-11,13H,3-6,9H2,1-2H3
InChIKeyPIQWPCIVZTXGIZ-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.23
Rot. Bonds3

About 1-(piperidin-4-ylmethyl)-3-propan-2-ylimidazol-2-one

1-(piperidin-4-ylmethyl)-3-propan-2-ylimidazol-2-one (PubChem CID 80581118) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(piperidin-4-ylmethyl)-3-propan-2-ylimidazol-2-one.

Molecular Properties

Compound Name1-(piperidin-4-ylmethyl)-3-propan-2-ylimidazol-2-one
PubChem CID80581118
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-(piperidin-4-ylmethyl)-3-propan-2-ylimidazol-2-one
SMILESCC(C)n1ccn(CC2CCNCC2)c1=O
InChIInChI=1S/C12H21N3O/c1-10(2)15-8-7-14(12(15)16)9-11-3-5-13-6-4-11/h7-8,10-11,13H,3-6,9H2,1-2H3
InChIKeyPIQWPCIVZTXGIZ-UHFFFAOYSA-N
XLogP1.23
TPSA38.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(piperidin-4-ylmethyl)-3-propan-2-ylimidazol-2-one?
The IUPAC name of 1-(piperidin-4-ylmethyl)-3-propan-2-ylimidazol-2-one (CID 80581118) is 1-(piperidin-4-ylmethyl)-3-propan-2-ylimidazol-2-one.
What is the SMILES notation for 1-(piperidin-4-ylmethyl)-3-propan-2-ylimidazol-2-one?
The canonical SMILES for 1-(piperidin-4-ylmethyl)-3-propan-2-ylimidazol-2-one is CC(C)n1ccn(CC2CCNCC2)c1=O.
What is the InChIKey of 1-(piperidin-4-ylmethyl)-3-propan-2-ylimidazol-2-one?
The InChIKey is PIQWPCIVZTXGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-10(2)15-8-7-14(12(15)16)9-11-3-5-13-6-4-11/h7-8,10-11,13H,3-6,9H2,1-2H3.
What are the key properties of 1-(piperidin-4-ylmethyl)-3-propan-2-ylimidazol-2-one?
1-(piperidin-4-ylmethyl)-3-propan-2-ylimidazol-2-one has a molecular weight of 223.32 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(piperidin-4-ylmethyl)-3-propan-2-ylimidazol-2-one is sourced from PubChem (CID 80581118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).