[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-[4-(dimethylamino)phenyl]methanone

C22H30N4O — CID 72941096

IUPAC[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-[4-(dimethylamino)phenyl]methanone
SMILESCN(C)c1ccc(C(=O)N2CCCC(c3nccn3CC3CCC3)C2)cc1
InChIInChI=1S/C22H30N4O/c1-24(2)20-10-8-18(9-11-20)22(27)26-13-4-7-19(16-26)21-23-12-14-25(21)15-17-5-3-6-17/h8-12,14,17,19H,3-7,13,15-16H2,1-2H3
InChIKeyXNJGZJDCBPCUFV-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.77
Rot. Bonds5

About [3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-[4-(dimethylamino)phenyl]methanone

[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-[4-(dimethylamino)phenyl]methanone (PubChem CID 72941096) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is [3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-[4-(dimethylamino)phenyl]methanone.

Molecular Properties

Compound Name[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-[4-(dimethylamino)phenyl]methanone
PubChem CID72941096
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-[4-(dimethylamino)phenyl]methanone
SMILESCN(C)c1ccc(C(=O)N2CCCC(c3nccn3CC3CCC3)C2)cc1
InChIInChI=1S/C22H30N4O/c1-24(2)20-10-8-18(9-11-20)22(27)26-13-4-7-19(16-26)21-23-12-14-25(21)15-17-5-3-6-17/h8-12,14,17,19H,3-7,13,15-16H2,1-2H3
InChIKeyXNJGZJDCBPCUFV-UHFFFAOYSA-N
XLogP3.77
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-[4-(dimethylamino)phenyl]propan-1-one
CID 72903798
1,3-benzodioxol-5-yl-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72882569
[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone
CID 72881956
(3-chloro-4-methylphenyl)-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 96577665
1,3-benzothiazol-6-yl-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72847990
[4-(dimethylamino)phenyl]-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90493255
[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone
CID 72928533
[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-quinolin-3-ylmethanone
CID 70781771
[(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]-(2-fluoro-4-methylphenyl)methanone
CID 72903991
N-[3-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-oxopropyl]-N-methylmethanesulfonamide
CID 72931230
[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 72894495

Frequently Asked Questions

What is the IUPAC name of [3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-[4-(dimethylamino)phenyl]methanone?
The IUPAC name of [3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-[4-(dimethylamino)phenyl]methanone (CID 72941096) is [3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-[4-(dimethylamino)phenyl]methanone.
What is the SMILES notation for [3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-[4-(dimethylamino)phenyl]methanone?
The canonical SMILES for [3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-[4-(dimethylamino)phenyl]methanone is CN(C)c1ccc(C(=O)N2CCCC(c3nccn3CC3CCC3)C2)cc1.
What is the InChIKey of [3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-[4-(dimethylamino)phenyl]methanone?
The InChIKey is XNJGZJDCBPCUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-24(2)20-10-8-18(9-11-20)22(27)26-13-4-7-19(16-26)21-23-12-14-25(21)15-17-5-3-6-17/h8-12,14,17,19H,3-7,13,15-16H2,1-2H3.
What are the key properties of [3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-[4-(dimethylamino)phenyl]methanone?
[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-[4-(dimethylamino)phenyl]methanone has a molecular weight of 366.51 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-[4-(dimethylamino)phenyl]methanone is sourced from PubChem (CID 72941096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).