1-[2-[1-acetyl-4-(4-methylphenyl)imidazol-2-yl]piperidin-1-yl]-2-methylbutan-1-one

C22H29N3O2 — CID 164873686

IUPAC1-[2-[1-acetyl-4-(4-methylphenyl)imidazol-2-yl]piperidin-1-yl]-2-methylbutan-1-one
SMILESCCC(C)C(=O)N1CCCCC1c1nc(-c2ccc(C)cc2)cn1C(C)=O
InChIInChI=1S/C22H29N3O2/c1-5-16(3)22(27)24-13-7-6-8-20(24)21-23-19(14-25(21)17(4)26)18-11-9-15(2)10-12-18/h9-12,14,16,20H,5-8,13H2,1-4H3
InChIKeyYPWRLOGRJMKCDP-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.62
Rot. Bonds4

About 1-[2-[1-acetyl-4-(4-methylphenyl)imidazol-2-yl]piperidin-1-yl]-2-methylbutan-1-one

1-[2-[1-acetyl-4-(4-methylphenyl)imidazol-2-yl]piperidin-1-yl]-2-methylbutan-1-one (PubChem CID 164873686) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 1-[2-[1-acetyl-4-(4-methylphenyl)imidazol-2-yl]piperidin-1-yl]-2-methylbutan-1-one.

Molecular Properties

Compound Name1-[2-[1-acetyl-4-(4-methylphenyl)imidazol-2-yl]piperidin-1-yl]-2-methylbutan-1-one
PubChem CID164873686
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name1-[2-[1-acetyl-4-(4-methylphenyl)imidazol-2-yl]piperidin-1-yl]-2-methylbutan-1-one
SMILESCCC(C)C(=O)N1CCCCC1c1nc(-c2ccc(C)cc2)cn1C(C)=O
InChIInChI=1S/C22H29N3O2/c1-5-16(3)22(27)24-13-7-6-8-20(24)21-23-19(14-25(21)17(4)26)18-11-9-15(2)10-12-18/h9-12,14,16,20H,5-8,13H2,1-4H3
InChIKeyYPWRLOGRJMKCDP-UHFFFAOYSA-N
XLogP4.62
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-acetyl-4-(4-methylphenyl)imidazol-2-yl]piperidin-1-yl]-2-methylbutan-1-one?
The IUPAC name of 1-[2-[1-acetyl-4-(4-methylphenyl)imidazol-2-yl]piperidin-1-yl]-2-methylbutan-1-one (CID 164873686) is 1-[2-[1-acetyl-4-(4-methylphenyl)imidazol-2-yl]piperidin-1-yl]-2-methylbutan-1-one.
What is the SMILES notation for 1-[2-[1-acetyl-4-(4-methylphenyl)imidazol-2-yl]piperidin-1-yl]-2-methylbutan-1-one?
The canonical SMILES for 1-[2-[1-acetyl-4-(4-methylphenyl)imidazol-2-yl]piperidin-1-yl]-2-methylbutan-1-one is CCC(C)C(=O)N1CCCCC1c1nc(-c2ccc(C)cc2)cn1C(C)=O.
What is the InChIKey of 1-[2-[1-acetyl-4-(4-methylphenyl)imidazol-2-yl]piperidin-1-yl]-2-methylbutan-1-one?
The InChIKey is YPWRLOGRJMKCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-5-16(3)22(27)24-13-7-6-8-20(24)21-23-19(14-25(21)17(4)26)18-11-9-15(2)10-12-18/h9-12,14,16,20H,5-8,13H2,1-4H3.
What are the key properties of 1-[2-[1-acetyl-4-(4-methylphenyl)imidazol-2-yl]piperidin-1-yl]-2-methylbutan-1-one?
1-[2-[1-acetyl-4-(4-methylphenyl)imidazol-2-yl]piperidin-1-yl]-2-methylbutan-1-one has a molecular weight of 367.49 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-acetyl-4-(4-methylphenyl)imidazol-2-yl]piperidin-1-yl]-2-methylbutan-1-one is sourced from PubChem (CID 164873686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).