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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Related Compounds

1-[2-[4-(4-methylphenyl)-1-(2-methylsulfanylpropanoyl)imidazol-2-yl]piperidin-1-yl]-2-methylsulfanylpropan-1-one
CID 164873682
(2S)-1-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-methylbutan-1-one
CID 164615803
2-methyl-1-[2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]butan-1-one
CID 138043679
1-[2-(4-methylphenyl)piperidin-1-yl]ethanone
CID 127352065
[3-cyclopentyl-1-[(2S)-2-(1-methyl-4-phenylimidazol-2-yl)pyrrolidin-1-yl]-1-oxopropan-2-yl] carbamate
CID 174989640
2-[(2S)-1-[(2R)-2-methylbutanoyl]pyrrolidin-2-yl]-6-(5-methylthiophene-2-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136892080
[2-(1-aminoethyl)piperidin-1-yl]-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone
CID 119435086
2-methyl-1-[2-(2-oxopropyl)piperidin-1-yl]butan-1-one
CID 79549033
3-amino-2-methyl-1-[2-(4-methylphenyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 120500863
2,3-dihydroxy-1-[2-(3-methylphenyl)pyrrolidin-1-yl]pentan-1-one
CID 143154677
5-[(2S)-1-[(2R)-2-methylbutanoyl]piperidin-2-yl]-11-propan-2-yl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one
CID 92585770
N-cyclopentyl-3-[5,7-dimethyl-2-[(2R)-1-[(2S)-2-methylbutanoyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 125011811

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).