1-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-hydroxy-4-methylpentan-1-one

C21H29N3O2 — CID 70744906

IUPAC1-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-hydroxy-4-methylpentan-1-one
SMILESCC(C)CC(O)C(=O)N1CCC(c2nccn2Cc2ccccc2)CC1
InChIInChI=1S/C21H29N3O2/c1-16(2)14-19(25)21(26)23-11-8-18(9-12-23)20-22-10-13-24(20)15-17-6-4-3-5-7-17/h3-7,10,13,16,18-19,25H,8-9,11-12,14-15H2,1-2H3
InChIKeyRQRAJEXTQOSYOQ-UHFFFAOYSA-N
MW355.48 g/mol
LogP3.04
Rot. Bonds6

About 1-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-hydroxy-4-methylpentan-1-one

1-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-hydroxy-4-methylpentan-1-one (PubChem CID 70744906) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 1-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-hydroxy-4-methylpentan-1-one.

Molecular Properties

Compound Name1-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-hydroxy-4-methylpentan-1-one
PubChem CID70744906
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name1-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-hydroxy-4-methylpentan-1-one
SMILESCC(C)CC(O)C(=O)N1CCC(c2nccn2Cc2ccccc2)CC1
InChIInChI=1S/C21H29N3O2/c1-16(2)14-19(25)21(26)23-11-8-18(9-12-23)20-22-10-13-24(20)15-17-6-4-3-5-7-17/h3-7,10,13,16,18-19,25H,8-9,11-12,14-15H2,1-2H3
InChIKeyRQRAJEXTQOSYOQ-UHFFFAOYSA-N
XLogP3.04
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(methylamino)-2-phenyl-1-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 97276167
1-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-3,3,3-trifluoropropan-1-one
CID 102602758
1-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-(2-ethylimidazol-1-yl)ethanone
CID 72861942
[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-(1-cyclopropylpyrrol-2-yl)methanone
CID 72900369
(2R)-2-phenyl-1-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one
CID 97283623
1-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one
CID 72911781
N-[(2R)-3-methyl-1-oxo-1-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]butan-2-yl]acetamide
CID 97281199
[4-[1-[(1-benzylimidazol-2-yl)methyl]imidazol-2-yl]piperidin-1-yl]-(5-bromofuran-2-yl)methanone
CID 3474945
3-[2-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 70712835
(2R)-1-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-2-phenylpropan-1-one
CID 97206870
[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanone
CID 97275791
(2R)-2-morpholin-4-yl-1-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one
CID 97276264

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-hydroxy-4-methylpentan-1-one?
The IUPAC name of 1-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-hydroxy-4-methylpentan-1-one (CID 70744906) is 1-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-hydroxy-4-methylpentan-1-one.
What is the SMILES notation for 1-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-hydroxy-4-methylpentan-1-one?
The canonical SMILES for 1-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-hydroxy-4-methylpentan-1-one is CC(C)CC(O)C(=O)N1CCC(c2nccn2Cc2ccccc2)CC1.
What is the InChIKey of 1-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-hydroxy-4-methylpentan-1-one?
The InChIKey is RQRAJEXTQOSYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-16(2)14-19(25)21(26)23-11-8-18(9-12-23)20-22-10-13-24(20)15-17-6-4-3-5-7-17/h3-7,10,13,16,18-19,25H,8-9,11-12,14-15H2,1-2H3.
What are the key properties of 1-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-hydroxy-4-methylpentan-1-one?
1-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-hydroxy-4-methylpentan-1-one has a molecular weight of 355.48 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-hydroxy-4-methylpentan-1-one is sourced from PubChem (CID 70744906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).