N-(2-methoxyethyl)-N-methyl-1-piperidin-4-ylpyrrole-2-carboxamide

C14H23N3O2 — CID 62715240

IUPACN-(2-methoxyethyl)-N-methyl-1-piperidin-4-ylpyrrole-2-carboxamide
SMILESCOCCN(C)C(=O)c1cccn1C1CCNCC1
InChIInChI=1S/C14H23N3O2/c1-16(10-11-19-2)14(18)13-4-3-9-17(13)12-5-7-15-8-6-12/h3-4,9,12,15H,5-8,10-11H2,1-2H3
InChIKeyRFOKJSCZEFHHTE-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.13
Rot. Bonds5

About N-(2-methoxyethyl)-N-methyl-1-piperidin-4-ylpyrrole-2-carboxamide

N-(2-methoxyethyl)-N-methyl-1-piperidin-4-ylpyrrole-2-carboxamide (PubChem CID 62715240) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-methyl-1-piperidin-4-ylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-methyl-1-piperidin-4-ylpyrrole-2-carboxamide
PubChem CID62715240
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-(2-methoxyethyl)-N-methyl-1-piperidin-4-ylpyrrole-2-carboxamide
SMILESCOCCN(C)C(=O)c1cccn1C1CCNCC1
InChIInChI=1S/C14H23N3O2/c1-16(10-11-19-2)14(18)13-4-3-9-17(13)12-5-7-15-8-6-12/h3-4,9,12,15H,5-8,10-11H2,1-2H3
InChIKeyRFOKJSCZEFHHTE-UHFFFAOYSA-N
XLogP1.13
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-methyl-1-piperidin-4-ylpyrrole-2-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-N-methyl-1-piperidin-4-ylpyrrole-2-carboxamide (CID 62715240) is N-(2-methoxyethyl)-N-methyl-1-piperidin-4-ylpyrrole-2-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-methyl-1-piperidin-4-ylpyrrole-2-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-N-methyl-1-piperidin-4-ylpyrrole-2-carboxamide is COCCN(C)C(=O)c1cccn1C1CCNCC1.
What is the InChIKey of N-(2-methoxyethyl)-N-methyl-1-piperidin-4-ylpyrrole-2-carboxamide?
The InChIKey is RFOKJSCZEFHHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-16(10-11-19-2)14(18)13-4-3-9-17(13)12-5-7-15-8-6-12/h3-4,9,12,15H,5-8,10-11H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-N-methyl-1-piperidin-4-ylpyrrole-2-carboxamide?
N-(2-methoxyethyl)-N-methyl-1-piperidin-4-ylpyrrole-2-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-methyl-1-piperidin-4-ylpyrrole-2-carboxamide is sourced from PubChem (CID 62715240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).