3-(2-methoxyethoxy)-1-[3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]propan-1-one

C19H36N2O3 — CID 170230954

IUPAC3-(2-methoxyethoxy)-1-[3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]propan-1-one
SMILESCOCCOCCC(=O)N1CCC(C2CCN(CC(C)C)CC2)C1
InChIInChI=1S/C19H36N2O3/c1-16(2)14-20-8-4-17(5-9-20)18-6-10-21(15-18)19(22)7-11-24-13-12-23-3/h16-18H,4-15H2,1-3H3
InChIKeyPSBYZENMWKFMMV-UHFFFAOYSA-N
MW340.51 g/mol
LogP2.26
Rot. Bonds9

About 3-(2-methoxyethoxy)-1-[3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]propan-1-one

3-(2-methoxyethoxy)-1-[3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]propan-1-one (PubChem CID 170230954) has the molecular formula C19H36N2O3 and a molecular weight of 340.51 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)-1-[3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(2-methoxyethoxy)-1-[3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]propan-1-one
PubChem CID170230954
Molecular FormulaC19H36N2O3
Molecular Weight340.51 g/mol
Exact Mass340.27
IUPAC Name3-(2-methoxyethoxy)-1-[3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]propan-1-one
SMILESCOCCOCCC(=O)N1CCC(C2CCN(CC(C)C)CC2)C1
InChIInChI=1S/C19H36N2O3/c1-16(2)14-20-8-4-17(5-9-20)18-6-10-21(15-18)19(22)7-11-24-13-12-23-3/h16-18H,4-15H2,1-3H3
InChIKeyPSBYZENMWKFMMV-UHFFFAOYSA-N
XLogP2.26
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(2-methoxyethoxy)-1-[3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]propan-1-one 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

1-[3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]-3-(2-propan-2-yloxyethoxy)propan-1-one
CID 154671447
2-(4-fluorophenoxy)-1-[(3R)-3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]ethanone
CID 25452506
1-[3-(1-aminoethyl)pyrrolidin-1-yl]-3-propoxypropan-1-one
CID 103975895
1-[(3S)-3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]-2-(3-methylpyrazol-1-yl)ethanone
CID 42475268
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-(2-methoxyethylamino)ethanone
CID 78914134
1-(2-methoxyethyl)-4-[[(3S)-3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]piperidine
CID 42392613
1-(2-methoxyethyl)-4-[[(3R)-3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]piperidine
CID 42392615
1-[4-[4-[3-(2-methoxyethoxy)propanoyl]piperazin-1-yl]cyclohexyl]-2-methylpropan-1-one
CID 169159522
methyl 4-[2-(2-methylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-4-oxobutanoate
CID 134071376
1-[(3R)-3-aminopyrrolidin-1-yl]-3-(2-methylpropoxy)propan-1-one;hydrochloride
CID 119410008
3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1-piperazin-1-ylpropan-1-one
CID 163402844
3-[3-(2-methoxyethoxy)propoxy]-1-piperazin-1-ylpropan-1-one
CID 103402655

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)-1-[3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-(2-methoxyethoxy)-1-[3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]propan-1-one (CID 170230954) is 3-(2-methoxyethoxy)-1-[3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(2-methoxyethoxy)-1-[3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-(2-methoxyethoxy)-1-[3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]propan-1-one is COCCOCCC(=O)N1CCC(C2CCN(CC(C)C)CC2)C1.
What is the InChIKey of 3-(2-methoxyethoxy)-1-[3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]propan-1-one?
The InChIKey is PSBYZENMWKFMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O3/c1-16(2)14-20-8-4-17(5-9-20)18-6-10-21(15-18)19(22)7-11-24-13-12-23-3/h16-18H,4-15H2,1-3H3.
What are the key properties of 3-(2-methoxyethoxy)-1-[3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]propan-1-one?
3-(2-methoxyethoxy)-1-[3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 340.51 g/mol, XLogP of 2.26, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)-1-[3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 170230954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).