N-(2-methoxyethyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide

C15H27N3O3 — CID 46295322

IUPACN-(2-methoxyethyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide
SMILESCOCCNC(=O)N1CCC(CC(=O)N2CCCC2)CC1
InChIInChI=1S/C15H27N3O3/c1-21-11-6-16-15(20)18-9-4-13(5-10-18)12-14(19)17-7-2-3-8-17/h13H,2-12H2,1H3,(H,16,20)
InChIKeyPKITURRJDNTFJX-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.07
Rot. Bonds5

About N-(2-methoxyethyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide

N-(2-methoxyethyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide (PubChem CID 46295322) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide
PubChem CID46295322
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC NameN-(2-methoxyethyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide
SMILESCOCCNC(=O)N1CCC(CC(=O)N2CCCC2)CC1
InChIInChI=1S/C15H27N3O3/c1-21-11-6-16-15(20)18-9-4-13(5-10-18)12-14(19)17-7-2-3-8-17/h13H,2-12H2,1H3,(H,16,20)
InChIKeyPKITURRJDNTFJX-UHFFFAOYSA-N
XLogP1.07
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-(2-methoxyethyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide (CID 46295322) is N-(2-methoxyethyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide is COCCNC(=O)N1CCC(CC(=O)N2CCCC2)CC1.
What is the InChIKey of N-(2-methoxyethyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide?
The InChIKey is PKITURRJDNTFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-21-11-6-16-15(20)18-9-4-13(5-10-18)12-14(19)17-7-2-3-8-17/h13H,2-12H2,1H3,(H,16,20).
What are the key properties of N-(2-methoxyethyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide?
N-(2-methoxyethyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide is sourced from PubChem (CID 46295322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).