[4-(3-hydroxy-3-methylbutyl)phenyl]-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone

C22H31N3O2 — CID 56909287

IUPAC[4-(3-hydroxy-3-methylbutyl)phenyl]-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone
SMILESCc1nccn1CC1CCCN(C(=O)c2ccc(CCC(C)(C)O)cc2)C1
InChIInChI=1S/C22H31N3O2/c1-17-23-12-14-24(17)15-19-5-4-13-25(16-19)21(26)20-8-6-18(7-9-20)10-11-22(2,3)27/h6-9,12,14,19,27H,4-5,10-11,13,15-16H2,1-3H3
InChIKeyWSZPHICQXZOEFG-UHFFFAOYSA-N
MW369.51 g/mol
LogP3.45
Rot. Bonds6

About [4-(3-hydroxy-3-methylbutyl)phenyl]-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone

[4-(3-hydroxy-3-methylbutyl)phenyl]-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone (PubChem CID 56909287) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is [4-(3-hydroxy-3-methylbutyl)phenyl]-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(3-hydroxy-3-methylbutyl)phenyl]-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone
PubChem CID56909287
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Name[4-(3-hydroxy-3-methylbutyl)phenyl]-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone
SMILESCc1nccn1CC1CCCN(C(=O)c2ccc(CCC(C)(C)O)cc2)C1
InChIInChI=1S/C22H31N3O2/c1-17-23-12-14-24(17)15-19-5-4-13-25(16-19)21(26)20-8-6-18(7-9-20)10-11-22(2,3)27/h6-9,12,14,19,27H,4-5,10-11,13,15-16H2,1-3H3
InChIKeyWSZPHICQXZOEFG-UHFFFAOYSA-N
XLogP3.45
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(3-hydroxy-3-methylbutyl)phenyl]-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[(2-methylimidazol-1-yl)methyl]phenyl]-(3-methylpiperidin-1-yl)methanone
CID 46774905
[5-(methoxymethyl)furan-2-yl]-[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 96580607
[4-(2-aminoethoxy)-3-methoxyphenyl]-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 118768638
[3-(2-aminoethoxy)-4-methoxyphenyl]-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 118781199
[(3R)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-[6-(1-methylsulfonylpiperidin-4-yl)-3-pyridinyl]methanone
CID 92623178
4-[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-4-oxobutanoic acid
CID 126451472
[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-(4-piperidin-1-ylphenyl)methanone
CID 91797183
3-(1,3-benzodioxol-5-yl)-1-[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 96571291
[4-(3-hydroxy-3-methylbutyl)phenyl]-(3-methoxypyrrolidin-1-yl)methanone
CID 70781727
[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 72941096
2-(2-methylimidazol-1-yl)-1-[(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]ethanone
CID 125010475
[1-[3-(3-hydroxy-3-methylbutyl)benzoyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
CID 70786107

Frequently Asked Questions

What is the IUPAC name of [4-(3-hydroxy-3-methylbutyl)phenyl]-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of [4-(3-hydroxy-3-methylbutyl)phenyl]-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone (CID 56909287) is [4-(3-hydroxy-3-methylbutyl)phenyl]-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for [4-(3-hydroxy-3-methylbutyl)phenyl]-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for [4-(3-hydroxy-3-methylbutyl)phenyl]-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone is Cc1nccn1CC1CCCN(C(=O)c2ccc(CCC(C)(C)O)cc2)C1.
What is the InChIKey of [4-(3-hydroxy-3-methylbutyl)phenyl]-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is WSZPHICQXZOEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-17-23-12-14-24(17)15-19-5-4-13-25(16-19)21(26)20-8-6-18(7-9-20)10-11-22(2,3)27/h6-9,12,14,19,27H,4-5,10-11,13,15-16H2,1-3H3.
What are the key properties of [4-(3-hydroxy-3-methylbutyl)phenyl]-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone?
[4-(3-hydroxy-3-methylbutyl)phenyl]-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 369.51 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-hydroxy-3-methylbutyl)phenyl]-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 56909287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).