(3,4-dimethoxypyrrolidin-1-yl)-(4-ethylpiperidin-4-yl)methanone

C14H26N2O3 — CID 103533229

IUPAC(3,4-dimethoxypyrrolidin-1-yl)-(4-ethylpiperidin-4-yl)methanone
SMILESCCC1(C(=O)N2CC(OC)C(OC)C2)CCNCC1
InChIInChI=1S/C14H26N2O3/c1-4-14(5-7-15-8-6-14)13(17)16-9-11(18-2)12(10-16)19-3/h11-12,15H,4-10H2,1-3H3
InChIKeySMEVRRUKLFKXRN-UHFFFAOYSA-N
MW270.37 g/mol
LogP0.64
Rot. Bonds4

About (3,4-dimethoxypyrrolidin-1-yl)-(4-ethylpiperidin-4-yl)methanone

(3,4-dimethoxypyrrolidin-1-yl)-(4-ethylpiperidin-4-yl)methanone (PubChem CID 103533229) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is (3,4-dimethoxypyrrolidin-1-yl)-(4-ethylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name(3,4-dimethoxypyrrolidin-1-yl)-(4-ethylpiperidin-4-yl)methanone
PubChem CID103533229
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name(3,4-dimethoxypyrrolidin-1-yl)-(4-ethylpiperidin-4-yl)methanone
SMILESCCC1(C(=O)N2CC(OC)C(OC)C2)CCNCC1
InChIInChI=1S/C14H26N2O3/c1-4-14(5-7-15-8-6-14)13(17)16-9-11(18-2)12(10-16)19-3/h11-12,15H,4-10H2,1-3H3
InChIKeySMEVRRUKLFKXRN-UHFFFAOYSA-N
XLogP0.64
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3,4-dimethoxypyrrolidin-1-yl)-(4-ethylpiperidin-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxypyrrolidin-1-yl)-(4-ethylpiperidin-4-yl)methanone?
The IUPAC name of (3,4-dimethoxypyrrolidin-1-yl)-(4-ethylpiperidin-4-yl)methanone (CID 103533229) is (3,4-dimethoxypyrrolidin-1-yl)-(4-ethylpiperidin-4-yl)methanone.
What is the SMILES notation for (3,4-dimethoxypyrrolidin-1-yl)-(4-ethylpiperidin-4-yl)methanone?
The canonical SMILES for (3,4-dimethoxypyrrolidin-1-yl)-(4-ethylpiperidin-4-yl)methanone is CCC1(C(=O)N2CC(OC)C(OC)C2)CCNCC1.
What is the InChIKey of (3,4-dimethoxypyrrolidin-1-yl)-(4-ethylpiperidin-4-yl)methanone?
The InChIKey is SMEVRRUKLFKXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-14(5-7-15-8-6-14)13(17)16-9-11(18-2)12(10-16)19-3/h11-12,15H,4-10H2,1-3H3.
What are the key properties of (3,4-dimethoxypyrrolidin-1-yl)-(4-ethylpiperidin-4-yl)methanone?
(3,4-dimethoxypyrrolidin-1-yl)-(4-ethylpiperidin-4-yl)methanone has a molecular weight of 270.37 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxypyrrolidin-1-yl)-(4-ethylpiperidin-4-yl)methanone is sourced from PubChem (CID 103533229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).