[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(2-fluoro-4-methylphenyl)methanone

C21H26FN3O — CID 72903991

IUPAC[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(2-fluoro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCCC(c3nccn3CC3CCC3)C2)c(F)c1
InChIInChI=1S/C21H26FN3O/c1-15-7-8-18(19(22)12-15)21(26)25-10-3-6-17(14-25)20-23-9-11-24(20)13-16-4-2-5-16/h7-9,11-12,16-17H,2-6,10,13-14H2,1H3
InChIKeyTYWXXWRUVLOOEW-UHFFFAOYSA-N
MW355.46 g/mol
LogP4.15
Rot. Bonds4

About [3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(2-fluoro-4-methylphenyl)methanone

[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(2-fluoro-4-methylphenyl)methanone (PubChem CID 72903991) has the molecular formula C21H26FN3O and a molecular weight of 355.46 g/mol. Its IUPAC name is [3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(2-fluoro-4-methylphenyl)methanone.

Molecular Properties

Compound Name[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(2-fluoro-4-methylphenyl)methanone
PubChem CID72903991
Molecular FormulaC21H26FN3O
Molecular Weight355.46 g/mol
Exact Mass355.21
IUPAC Name[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(2-fluoro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCCC(c3nccn3CC3CCC3)C2)c(F)c1
InChIInChI=1S/C21H26FN3O/c1-15-7-8-18(19(22)12-15)21(26)25-10-3-6-17(14-25)20-23-9-11-24(20)13-16-4-2-5-16/h7-9,11-12,16-17H,2-6,10,13-14H2,1H3
InChIKeyTYWXXWRUVLOOEW-UHFFFAOYSA-N
XLogP4.15
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone
CID 72881956
[(3R)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone
CID 97193355
[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone
CID 72928533
[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 72941096
(3-chloro-4-methylphenyl)-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 96577665
3-[(3R)-1-(2-fluoro-4-methylbenzoyl)piperidin-3-yl]propanoic acid
CID 97161540
[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(2,6-dimethylpyrimidin-4-yl)methanone
CID 96572355
[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 72894495
1,3-benzodioxol-5-yl-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72882569
1-[(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-(3-fluoro-4-hydroxyphenyl)ethanone
CID 96575625
[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 97278374
[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone
CID 97284622

Frequently Asked Questions

What is the IUPAC name of [3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(2-fluoro-4-methylphenyl)methanone?
The IUPAC name of [3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(2-fluoro-4-methylphenyl)methanone (CID 72903991) is [3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(2-fluoro-4-methylphenyl)methanone.
What is the SMILES notation for [3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(2-fluoro-4-methylphenyl)methanone?
The canonical SMILES for [3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(2-fluoro-4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCCC(c3nccn3CC3CCC3)C2)c(F)c1.
What is the InChIKey of [3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(2-fluoro-4-methylphenyl)methanone?
The InChIKey is TYWXXWRUVLOOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O/c1-15-7-8-18(19(22)12-15)21(26)25-10-3-6-17(14-25)20-23-9-11-24(20)13-16-4-2-5-16/h7-9,11-12,16-17H,2-6,10,13-14H2,1H3.
What are the key properties of [3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(2-fluoro-4-methylphenyl)methanone?
[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(2-fluoro-4-methylphenyl)methanone has a molecular weight of 355.46 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(2-fluoro-4-methylphenyl)methanone is sourced from PubChem (CID 72903991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).