1,3-benzodioxol-5-yl-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]methanone

C21H25N3O3 — CID 72882569

IUPAC1,3-benzodioxol-5-yl-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccc2c(c1)OCO2)N1CCCC(c2nccn2CC2CCC2)C1
InChIInChI=1S/C21H25N3O3/c25-21(16-6-7-18-19(11-16)27-14-26-18)24-9-2-5-17(13-24)20-22-8-10-23(20)12-15-3-1-4-15/h6-8,10-11,15,17H,1-5,9,12-14H2
InChIKeyRCPCUVOOBSXETI-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.43
Rot. Bonds4

About 1,3-benzodioxol-5-yl-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]methanone

1,3-benzodioxol-5-yl-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 72882569) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 1,3-benzodioxol-5-yl-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name1,3-benzodioxol-5-yl-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
PubChem CID72882569
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name1,3-benzodioxol-5-yl-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccc2c(c1)OCO2)N1CCCC(c2nccn2CC2CCC2)C1
InChIInChI=1S/C21H25N3O3/c25-21(16-6-7-18-19(11-16)27-14-26-18)24-9-2-5-17(13-24)20-22-8-10-23(20)12-15-3-1-4-15/h6-8,10-11,15,17H,1-5,9,12-14H2
InChIKeyRCPCUVOOBSXETI-UHFFFAOYSA-N
XLogP3.43
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-benzodioxol-5-yl)-1-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 97286189
[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 72941096
[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone
CID 72881956
1,3-benzothiazol-6-yl-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72847990
(3-chloro-4-methylphenyl)-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 96577665
[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
(3R)-N-(1,3-benzodioxol-5-yl)-3-(1-ethylimidazol-2-yl)piperidine-1-carboxamide
CID 97143036
[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 72894495
N-(1,3-benzodioxol-5-yl)-3-(1-ethylimidazol-2-yl)piperidine-1-carboxamide
CID 70765081
[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 97278374
[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(2-fluoro-4-methylphenyl)methanone
CID 72903991

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-yl-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of 1,3-benzodioxol-5-yl-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (CID 72882569) is 1,3-benzodioxol-5-yl-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for 1,3-benzodioxol-5-yl-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for 1,3-benzodioxol-5-yl-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is O=C(c1ccc2c(c1)OCO2)N1CCCC(c2nccn2CC2CCC2)C1.
What is the InChIKey of 1,3-benzodioxol-5-yl-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is RCPCUVOOBSXETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c25-21(16-6-7-18-19(11-16)27-14-26-18)24-9-2-5-17(13-24)20-22-8-10-23(20)12-15-3-1-4-15/h6-8,10-11,15,17H,1-5,9,12-14H2.
What are the key properties of 1,3-benzodioxol-5-yl-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
1,3-benzodioxol-5-yl-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 367.45 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-5-yl-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 72882569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).