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

C20H30N2O3 — CID 53193381

IUPAC(3,4-dimethoxyphenyl)-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCCCC2CCN2CCCC2)cc1OC
InChIInChI=1S/C20H30N2O3/c1-24-18-9-8-16(15-19(18)25-2)20(23)22-13-4-3-7-17(22)10-14-21-11-5-6-12-21/h8-9,15,17H,3-7,10-14H2,1-2H3
InChIKeyUXEVJIZDTUHQIJ-UHFFFAOYSA-N
MW346.47 g/mol
LogP3.18
Rot. Bonds6

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

(3,4-dimethoxyphenyl)-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone (PubChem CID 53193381) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
PubChem CID53193381
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name(3,4-dimethoxyphenyl)-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCCCC2CCN2CCCC2)cc1OC
InChIInChI=1S/C20H30N2O3/c1-24-18-9-8-16(15-19(18)25-2)20(23)22-13-4-3-7-17(22)10-14-21-11-5-6-12-21/h8-9,15,17H,3-7,10-14H2,1-2H3
InChIKeyUXEVJIZDTUHQIJ-UHFFFAOYSA-N
XLogP3.18
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone?
The IUPAC name of (3,4-dimethoxyphenyl)-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone (CID 53193381) is (3,4-dimethoxyphenyl)-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3,4-dimethoxyphenyl)-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3,4-dimethoxyphenyl)-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone is COc1ccc(C(=O)N2CCCCC2CCN2CCCC2)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone?
The InChIKey is UXEVJIZDTUHQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-24-18-9-8-16(15-19(18)25-2)20(23)22-13-4-3-7-17(22)10-14-21-11-5-6-12-21/h8-9,15,17H,3-7,10-14H2,1-2H3.
What are the key properties of (3,4-dimethoxyphenyl)-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone?
(3,4-dimethoxyphenyl)-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone has a molecular weight of 346.47 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 53193381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).