3-butyl-1-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-2-one

C14H24N4O — CID 50961113

IUPAC3-butyl-1-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-2-one
SMILESCCCCC1C(=O)N(C)CCN1Cc1nc[nH]c1C
InChIInChI=1S/C14H24N4O/c1-4-5-6-13-14(19)17(3)7-8-18(13)9-12-11(2)15-10-16-12/h10,13H,4-9H2,1-3H3,(H,15,16)
InChIKeyZDJGSZKNHPZGOR-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.55
Rot. Bonds5

About 3-butyl-1-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-2-one

3-butyl-1-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-2-one (PubChem CID 50961113) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-butyl-1-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-2-one.

Molecular Properties

Compound Name3-butyl-1-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-2-one
PubChem CID50961113
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name3-butyl-1-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-2-one
SMILESCCCCC1C(=O)N(C)CCN1Cc1nc[nH]c1C
InChIInChI=1S/C14H24N4O/c1-4-5-6-13-14(19)17(3)7-8-18(13)9-12-11(2)15-10-16-12/h10,13H,4-9H2,1-3H3,(H,15,16)
InChIKeyZDJGSZKNHPZGOR-UHFFFAOYSA-N
XLogP1.55
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-1-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-2-one?
The IUPAC name of 3-butyl-1-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-2-one (CID 50961113) is 3-butyl-1-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-2-one.
What is the SMILES notation for 3-butyl-1-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-2-one?
The canonical SMILES for 3-butyl-1-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-2-one is CCCCC1C(=O)N(C)CCN1Cc1nc[nH]c1C.
What is the InChIKey of 3-butyl-1-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-2-one?
The InChIKey is ZDJGSZKNHPZGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-4-5-6-13-14(19)17(3)7-8-18(13)9-12-11(2)15-10-16-12/h10,13H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 3-butyl-1-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-2-one?
3-butyl-1-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-2-one has a molecular weight of 264.37 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-2-one is sourced from PubChem (CID 50961113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).