[1-[3-(3-hydroxy-3-methylbutyl)benzoyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone

C22H29N3O3 — CID 70786107

IUPAC[1-[3-(3-hydroxy-3-methylbutyl)benzoyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
SMILESCn1ccnc1C(=O)C1CCCN(C(=O)c2cccc(CCC(C)(C)O)c2)C1
InChIInChI=1S/C22H29N3O3/c1-22(2,28)10-9-16-6-4-7-17(14-16)21(27)25-12-5-8-18(15-25)19(26)20-23-11-13-24(20)3/h4,6-7,11,13-14,18,28H,5,8-10,12,15H2,1-3H3
InChIKeyFKKPWSNELIFPJK-UHFFFAOYSA-N
MW383.49 g/mol
LogP2.86
Rot. Bonds6

About [1-[3-(3-hydroxy-3-methylbutyl)benzoyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone

[1-[3-(3-hydroxy-3-methylbutyl)benzoyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone (PubChem CID 70786107) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is [1-[3-(3-hydroxy-3-methylbutyl)benzoyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone.

Molecular Properties

Compound Name[1-[3-(3-hydroxy-3-methylbutyl)benzoyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
PubChem CID70786107
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name[1-[3-(3-hydroxy-3-methylbutyl)benzoyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
SMILESCn1ccnc1C(=O)C1CCCN(C(=O)c2cccc(CCC(C)(C)O)c2)C1
InChIInChI=1S/C22H29N3O3/c1-22(2,28)10-9-16-6-4-7-17(14-16)21(27)25-12-5-8-18(15-25)19(26)20-23-11-13-24(20)3/h4,6-7,11,13-14,18,28H,5,8-10,12,15H2,1-3H3
InChIKeyFKKPWSNELIFPJK-UHFFFAOYSA-N
XLogP2.86
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(2H-benzotriazole-5-carbonyl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
CID 70742832
[(3R)-1-[3-(3-hydroxy-3-methylbutyl)benzoyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 95891625
cyclopropyl-[4-[3-(3-hydroxy-3-methylbutyl)benzoyl]-1,4-diazepan-1-yl]methanone
CID 70726280
[3-(3-hydroxy-3-methylbutyl)phenyl]-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70758176
(1-methylimidazol-2-yl)-[1-(2-phenylethyl)piperidin-3-yl]methanone
CID 171914388
[3-(3-hydroxy-3-methylbutyl)phenyl]-[3-(hydroxymethyl)-4-methylpiperazin-1-yl]methanone
CID 70727381
[(3aR,6aR)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-[3-(3-hydroxy-3-methylbutyl)phenyl]methanone
CID 133127432
(1-methylimidazol-2-yl)-[1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-3-yl]methanone
CID 70723610
[(3S,4S)-4-(dimethylamino)-3-hydroxypiperidin-1-yl]-[3-(3-hydroxy-3-methylbutyl)phenyl]methanone
CID 70743047
1-[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-thiophen-3-ylethanone
CID 70736283
[3-(3-hydroxy-3-methylbutyl)phenyl]-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]methanone
CID 70770536
(1-methylimidazol-2-yl)-[1-[3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbonyl]piperidin-3-yl]methanone
CID 70723597

Frequently Asked Questions

What is the IUPAC name of [1-[3-(3-hydroxy-3-methylbutyl)benzoyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone?
The IUPAC name of [1-[3-(3-hydroxy-3-methylbutyl)benzoyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone (CID 70786107) is [1-[3-(3-hydroxy-3-methylbutyl)benzoyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone.
What is the SMILES notation for [1-[3-(3-hydroxy-3-methylbutyl)benzoyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone?
The canonical SMILES for [1-[3-(3-hydroxy-3-methylbutyl)benzoyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone is Cn1ccnc1C(=O)C1CCCN(C(=O)c2cccc(CCC(C)(C)O)c2)C1.
What is the InChIKey of [1-[3-(3-hydroxy-3-methylbutyl)benzoyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone?
The InChIKey is FKKPWSNELIFPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-22(2,28)10-9-16-6-4-7-17(14-16)21(27)25-12-5-8-18(15-25)19(26)20-23-11-13-24(20)3/h4,6-7,11,13-14,18,28H,5,8-10,12,15H2,1-3H3.
What are the key properties of [1-[3-(3-hydroxy-3-methylbutyl)benzoyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone?
[1-[3-(3-hydroxy-3-methylbutyl)benzoyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone has a molecular weight of 383.49 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(3-hydroxy-3-methylbutyl)benzoyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone is sourced from PubChem (CID 70786107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).