[4-(2-methoxyethoxy)piperidin-1-yl]-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methanone

C18H30N2O4 — CID 91918283

IUPAC[4-(2-methoxyethoxy)piperidin-1-yl]-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methanone
SMILESCOCCOC1CCN(C(=O)c2cc(C)n(CCOC)c2C)CC1
InChIInChI=1S/C18H30N2O4/c1-14-13-17(15(2)20(14)9-10-22-3)18(21)19-7-5-16(6-8-19)24-12-11-23-4/h13,16H,5-12H2,1-4H3
InChIKeyMUZLERDHLLVYSK-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.02
Rot. Bonds8

About [4-(2-methoxyethoxy)piperidin-1-yl]-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methanone

[4-(2-methoxyethoxy)piperidin-1-yl]-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methanone (PubChem CID 91918283) has the molecular formula C18H30N2O4 and a molecular weight of 338.45 g/mol. Its IUPAC name is [4-(2-methoxyethoxy)piperidin-1-yl]-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methanone.

Molecular Properties

Compound Name[4-(2-methoxyethoxy)piperidin-1-yl]-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methanone
PubChem CID91918283
Molecular FormulaC18H30N2O4
Molecular Weight338.45 g/mol
Exact Mass338.22
IUPAC Name[4-(2-methoxyethoxy)piperidin-1-yl]-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methanone
SMILESCOCCOC1CCN(C(=O)c2cc(C)n(CCOC)c2C)CC1
InChIInChI=1S/C18H30N2O4/c1-14-13-17(15(2)20(14)9-10-22-3)18(21)19-7-5-16(6-8-19)24-12-11-23-4/h13,16H,5-12H2,1-4H3
InChIKeyMUZLERDHLLVYSK-UHFFFAOYSA-N
XLogP2.02
TPSA52.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyethoxy)piperidin-1-yl]-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methanone?
The IUPAC name of [4-(2-methoxyethoxy)piperidin-1-yl]-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methanone (CID 91918283) is [4-(2-methoxyethoxy)piperidin-1-yl]-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methanone.
What is the SMILES notation for [4-(2-methoxyethoxy)piperidin-1-yl]-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methanone?
The canonical SMILES for [4-(2-methoxyethoxy)piperidin-1-yl]-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methanone is COCCOC1CCN(C(=O)c2cc(C)n(CCOC)c2C)CC1.
What is the InChIKey of [4-(2-methoxyethoxy)piperidin-1-yl]-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methanone?
The InChIKey is MUZLERDHLLVYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O4/c1-14-13-17(15(2)20(14)9-10-22-3)18(21)19-7-5-16(6-8-19)24-12-11-23-4/h13,16H,5-12H2,1-4H3.
What are the key properties of [4-(2-methoxyethoxy)piperidin-1-yl]-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methanone?
[4-(2-methoxyethoxy)piperidin-1-yl]-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methanone has a molecular weight of 338.45 g/mol, XLogP of 2.02, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyethoxy)piperidin-1-yl]-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methanone is sourced from PubChem (CID 91918283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).