(3,4-dimethoxyphenyl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone

C19H25N3O3 — CID 56779705

IUPAC(3,4-dimethoxyphenyl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone
SMILESCCc1nccn1C1CCCN(C(=O)c2ccc(OC)c(OC)c2)C1
InChIInChI=1S/C19H25N3O3/c1-4-18-20-9-11-22(18)15-6-5-10-21(13-15)19(23)14-7-8-16(24-2)17(12-14)25-3/h7-9,11-12,15H,4-6,10,13H2,1-3H3
InChIKeyVVHZBEJVJILBRW-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.94
Rot. Bonds5

About (3,4-dimethoxyphenyl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone

(3,4-dimethoxyphenyl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone (PubChem CID 56779705) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone
PubChem CID56779705
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name(3,4-dimethoxyphenyl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone
SMILESCCc1nccn1C1CCCN(C(=O)c2ccc(OC)c(OC)c2)C1
InChIInChI=1S/C19H25N3O3/c1-4-18-20-9-11-22(18)15-6-5-10-21(13-15)19(23)14-7-8-16(24-2)17(12-14)25-3/h7-9,11-12,15H,4-6,10,13H2,1-3H3
InChIKeyVVHZBEJVJILBRW-UHFFFAOYSA-N
XLogP2.94
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone?
The IUPAC name of (3,4-dimethoxyphenyl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone (CID 56779705) is (3,4-dimethoxyphenyl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3,4-dimethoxyphenyl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3,4-dimethoxyphenyl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone is CCc1nccn1C1CCCN(C(=O)c2ccc(OC)c(OC)c2)C1.
What is the InChIKey of (3,4-dimethoxyphenyl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone?
The InChIKey is VVHZBEJVJILBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-4-18-20-9-11-22(18)15-6-5-10-21(13-15)19(23)14-7-8-16(24-2)17(12-14)25-3/h7-9,11-12,15H,4-6,10,13H2,1-3H3.
What are the key properties of (3,4-dimethoxyphenyl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone?
(3,4-dimethoxyphenyl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone has a molecular weight of 343.43 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 56779705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).