N-benzyl-N-(2-hydroxyethyl)-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide

C22H33N3O4 — CID 24794085

IUPACN-benzyl-N-(2-hydroxyethyl)-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide
SMILESO=C1CCC(C(=O)N(CCO)Cc2ccccc2)CN1CCCN1CCOCC1
InChIInChI=1S/C22H33N3O4/c26-14-11-25(17-19-5-2-1-3-6-19)22(28)20-7-8-21(27)24(18-20)10-4-9-23-12-15-29-16-13-23/h1-3,5-6,20,26H,4,7-18H2
InChIKeyRJDSSPLRFNLELS-UHFFFAOYSA-N
MW403.52 g/mol
LogP0.97
Rot. Bonds9

About N-benzyl-N-(2-hydroxyethyl)-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide

N-benzyl-N-(2-hydroxyethyl)-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide (PubChem CID 24794085) has the molecular formula C22H33N3O4 and a molecular weight of 403.52 g/mol. Its IUPAC name is N-benzyl-N-(2-hydroxyethyl)-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(2-hydroxyethyl)-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide
PubChem CID24794085
Molecular FormulaC22H33N3O4
Molecular Weight403.52 g/mol
Exact Mass403.25
IUPAC NameN-benzyl-N-(2-hydroxyethyl)-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide
SMILESO=C1CCC(C(=O)N(CCO)Cc2ccccc2)CN1CCCN1CCOCC1
InChIInChI=1S/C22H33N3O4/c26-14-11-25(17-19-5-2-1-3-6-19)22(28)20-7-8-21(27)24(18-20)10-4-9-23-12-15-29-16-13-23/h1-3,5-6,20,26H,4,7-18H2
InChIKeyRJDSSPLRFNLELS-UHFFFAOYSA-N
XLogP0.97
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.52
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-benzyl-N-(2-hydroxyethyl)-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-hydroxyethyl)-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-benzyl-N-(2-hydroxyethyl)-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide (CID 24794085) is N-benzyl-N-(2-hydroxyethyl)-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-benzyl-N-(2-hydroxyethyl)-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-benzyl-N-(2-hydroxyethyl)-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide is O=C1CCC(C(=O)N(CCO)Cc2ccccc2)CN1CCCN1CCOCC1.
What is the InChIKey of N-benzyl-N-(2-hydroxyethyl)-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is RJDSSPLRFNLELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O4/c26-14-11-25(17-19-5-2-1-3-6-19)22(28)20-7-8-21(27)24(18-20)10-4-9-23-12-15-29-16-13-23/h1-3,5-6,20,26H,4,7-18H2.
What are the key properties of N-benzyl-N-(2-hydroxyethyl)-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide?
N-benzyl-N-(2-hydroxyethyl)-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 403.52 g/mol, XLogP of 0.97, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-hydroxyethyl)-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24794085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).