N-ethyl-1-(3-morpholin-4-ylpropyl)-6-oxo-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide

C21H38N4O3 — CID 24817056

IUPACN-ethyl-1-(3-morpholin-4-ylpropyl)-6-oxo-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
SMILESCCN(CCN1CCCC1)C(=O)C1CCC(=O)N(CCCN2CCOCC2)C1
InChIInChI=1S/C21H38N4O3/c1-2-24(13-12-22-8-3-4-9-22)21(27)19-6-7-20(26)25(18-19)11-5-10-23-14-16-28-17-15-23/h19H,2-18H2,1H3
InChIKeyBWAKLWILYYABFE-UHFFFAOYSA-N
MW394.56 g/mol
LogP0.89
Rot. Bonds9

About N-ethyl-1-(3-morpholin-4-ylpropyl)-6-oxo-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide

N-ethyl-1-(3-morpholin-4-ylpropyl)-6-oxo-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide (PubChem CID 24817056) has the molecular formula C21H38N4O3 and a molecular weight of 394.56 g/mol. Its IUPAC name is N-ethyl-1-(3-morpholin-4-ylpropyl)-6-oxo-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(3-morpholin-4-ylpropyl)-6-oxo-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
PubChem CID24817056
Molecular FormulaC21H38N4O3
Molecular Weight394.56 g/mol
Exact Mass394.29
IUPAC NameN-ethyl-1-(3-morpholin-4-ylpropyl)-6-oxo-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
SMILESCCN(CCN1CCCC1)C(=O)C1CCC(=O)N(CCCN2CCOCC2)C1
InChIInChI=1S/C21H38N4O3/c1-2-24(13-12-22-8-3-4-9-22)21(27)19-6-7-20(26)25(18-19)11-5-10-23-14-16-28-17-15-23/h19H,2-18H2,1H3
InChIKeyBWAKLWILYYABFE-UHFFFAOYSA-N
XLogP0.89
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-morpholin-4-ylpropyl)-6-oxo-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide?
The IUPAC name of N-ethyl-1-(3-morpholin-4-ylpropyl)-6-oxo-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide (CID 24817056) is N-ethyl-1-(3-morpholin-4-ylpropyl)-6-oxo-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-ethyl-1-(3-morpholin-4-ylpropyl)-6-oxo-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide?
The canonical SMILES for N-ethyl-1-(3-morpholin-4-ylpropyl)-6-oxo-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide is CCN(CCN1CCCC1)C(=O)C1CCC(=O)N(CCCN2CCOCC2)C1.
What is the InChIKey of N-ethyl-1-(3-morpholin-4-ylpropyl)-6-oxo-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide?
The InChIKey is BWAKLWILYYABFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N4O3/c1-2-24(13-12-22-8-3-4-9-22)21(27)19-6-7-20(26)25(18-19)11-5-10-23-14-16-28-17-15-23/h19H,2-18H2,1H3.
What are the key properties of N-ethyl-1-(3-morpholin-4-ylpropyl)-6-oxo-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide?
N-ethyl-1-(3-morpholin-4-ylpropyl)-6-oxo-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide has a molecular weight of 394.56 g/mol, XLogP of 0.89, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-morpholin-4-ylpropyl)-6-oxo-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 24817056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).