3-[2-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)imidazol-1-yl]-1-propylpiperidine

C20H27N3O3 — CID 154568884

IUPAC3-[2-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)imidazol-1-yl]-1-propylpiperidine
SMILESCCCN1CCCC(n2ccnc2-c2cc3c(cc2OC)OCCO3)C1
InChIInChI=1S/C20H27N3O3/c1-3-7-22-8-4-5-15(14-22)23-9-6-21-20(23)16-12-18-19(13-17(16)24-2)26-11-10-25-18/h6,9,12-13,15H,3-5,7-8,10-11,14H2,1-2H3
InChIKeyPHKCFUCQUOQJSN-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.38
Rot. Bonds5

About 3-[2-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)imidazol-1-yl]-1-propylpiperidine

3-[2-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)imidazol-1-yl]-1-propylpiperidine (PubChem CID 154568884) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 3-[2-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)imidazol-1-yl]-1-propylpiperidine.

Molecular Properties

Compound Name3-[2-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)imidazol-1-yl]-1-propylpiperidine
PubChem CID154568884
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name3-[2-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)imidazol-1-yl]-1-propylpiperidine
SMILESCCCN1CCCC(n2ccnc2-c2cc3c(cc2OC)OCCO3)C1
InChIInChI=1S/C20H27N3O3/c1-3-7-22-8-4-5-15(14-22)23-9-6-21-20(23)16-12-18-19(13-17(16)24-2)26-11-10-25-18/h6,9,12-13,15H,3-5,7-8,10-11,14H2,1-2H3
InChIKeyPHKCFUCQUOQJSN-UHFFFAOYSA-N
XLogP3.38
TPSA48.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[2-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)imidazol-1-yl]-1-propylpiperidine 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

(5R)-5-[2-(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)imidazol-1-yl]-1-methylpiperidin-2-one
CID 96571221
3-[2-(2-chloro-3,4-dimethoxyphenyl)imidazol-1-yl]-1-ethylpiperidine
CID 146038437
2-(6-methoxy-1,3-benzodioxol-5-yl)-1-propan-2-ylimidazole
CID 162638690
2-[3-[2-(7-methoxy-1,3-benzodioxol-5-yl)imidazol-1-yl]piperidin-1-yl]pyrimidine
CID 70787827
3-[2-(3-methoxyphenyl)imidazol-1-yl]-1-methylpiperidine
CID 154817064
2-[1-[3-(2,3-dihydro-1,4-benzodioxin-6-yloxy)propyl]piperidin-3-yl]-6,7-dimethoxy-3,4-dihydroisoquinolin-1-one;hydrochloride
CID 45262311
2-methoxy-4-[[2-(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)imidazol-1-yl]methyl]phenol
CID 56900365
1-ethyl-3-[2-(2-phenylpyrazol-3-yl)imidazol-1-yl]piperidine
CID 146043336
7-[2-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)imidazol-1-yl]-3,4-dihydro-2H-isoquinolin-1-one
CID 138383432
6-chloro-2-[1-(1-ethylpiperidin-3-yl)imidazol-2-yl]quinoline
CID 146039646
5-[1-(1-ethylpyrrolidin-3-yl)imidazol-2-yl]-N,N-dimethylpyrimidin-2-amine
CID 154817183
2-[(3S)-1-[3-(1,3-benzodioxol-5-yloxy)propyl]piperidin-3-yl]-6,7-dimethoxy-3,4-dihydroisoquinolin-1-one;hydrochloride
CID 73348098

Frequently Asked Questions

What is the IUPAC name of 3-[2-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)imidazol-1-yl]-1-propylpiperidine?
The IUPAC name of 3-[2-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)imidazol-1-yl]-1-propylpiperidine (CID 154568884) is 3-[2-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)imidazol-1-yl]-1-propylpiperidine.
What is the SMILES notation for 3-[2-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)imidazol-1-yl]-1-propylpiperidine?
The canonical SMILES for 3-[2-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)imidazol-1-yl]-1-propylpiperidine is CCCN1CCCC(n2ccnc2-c2cc3c(cc2OC)OCCO3)C1.
What is the InChIKey of 3-[2-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)imidazol-1-yl]-1-propylpiperidine?
The InChIKey is PHKCFUCQUOQJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-3-7-22-8-4-5-15(14-22)23-9-6-21-20(23)16-12-18-19(13-17(16)24-2)26-11-10-25-18/h6,9,12-13,15H,3-5,7-8,10-11,14H2,1-2H3.
What are the key properties of 3-[2-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)imidazol-1-yl]-1-propylpiperidine?
3-[2-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)imidazol-1-yl]-1-propylpiperidine has a molecular weight of 357.45 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)imidazol-1-yl]-1-propylpiperidine is sourced from PubChem (CID 154568884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).