[4-(2-methoxyethoxy)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone

C14H22N2O3 — CID 91918270

IUPAC[4-(2-methoxyethoxy)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
SMILESCOCCOC1CCN(C(=O)c2cccn2C)CC1
InChIInChI=1S/C14H22N2O3/c1-15-7-3-4-13(15)14(17)16-8-5-12(6-9-16)19-11-10-18-2/h3-4,7,12H,5-6,8-11H2,1-2H3
InChIKeyAXGAPIIZJNWCGB-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.29
Rot. Bonds5

About [4-(2-methoxyethoxy)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone

[4-(2-methoxyethoxy)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone (PubChem CID 91918270) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is [4-(2-methoxyethoxy)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name[4-(2-methoxyethoxy)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
PubChem CID91918270
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name[4-(2-methoxyethoxy)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
SMILESCOCCOC1CCN(C(=O)c2cccn2C)CC1
InChIInChI=1S/C14H22N2O3/c1-15-7-3-4-13(15)14(17)16-8-5-12(6-9-16)19-11-10-18-2/h3-4,7,12H,5-6,8-11H2,1-2H3
InChIKeyAXGAPIIZJNWCGB-UHFFFAOYSA-N
XLogP1.29
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-methylpyrrol-2-yl)methanone?
The IUPAC name of [4-(2-methoxyethoxy)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone (CID 91918270) is [4-(2-methoxyethoxy)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone.
What is the SMILES notation for [4-(2-methoxyethoxy)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone?
The canonical SMILES for [4-(2-methoxyethoxy)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone is COCCOC1CCN(C(=O)c2cccn2C)CC1.
What is the InChIKey of [4-(2-methoxyethoxy)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone?
The InChIKey is AXGAPIIZJNWCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-15-7-3-4-13(15)14(17)16-8-5-12(6-9-16)19-11-10-18-2/h3-4,7,12H,5-6,8-11H2,1-2H3.
What are the key properties of [4-(2-methoxyethoxy)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone?
[4-(2-methoxyethoxy)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone has a molecular weight of 266.34 g/mol, XLogP of 1.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyethoxy)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone is sourced from PubChem (CID 91918270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).