N'-(2-morpholin-4-ylethyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide

C20H31N5O3 — CID 29344676

IUPACN'-(2-morpholin-4-ylethyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide
SMILESO=C(NCCN1CCOCC1)C(=O)NCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H31N5O3/c26-19(20(27)22-7-9-24-14-16-28-17-15-24)21-6-8-23-10-12-25(13-11-23)18-4-2-1-3-5-18/h1-5H,6-17H2,(H,21,26)(H,22,27)
InChIKeyYJECWOHPYXKQQZ-UHFFFAOYSA-N
MW389.50 g/mol
LogP-0.63
Rot. Bonds7

About N'-(2-morpholin-4-ylethyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide

N'-(2-morpholin-4-ylethyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide (PubChem CID 29344676) has the molecular formula C20H31N5O3 and a molecular weight of 389.50 g/mol. Its IUPAC name is N'-(2-morpholin-4-ylethyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(2-morpholin-4-ylethyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide
PubChem CID29344676
Molecular FormulaC20H31N5O3
Molecular Weight389.50 g/mol
Exact Mass389.24
IUPAC NameN'-(2-morpholin-4-ylethyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide
SMILESO=C(NCCN1CCOCC1)C(=O)NCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H31N5O3/c26-19(20(27)22-7-9-24-14-16-28-17-15-24)21-6-8-23-10-12-25(13-11-23)18-4-2-1-3-5-18/h1-5H,6-17H2,(H,21,26)(H,22,27)
InChIKeyYJECWOHPYXKQQZ-UHFFFAOYSA-N
XLogP-0.63
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(2-morpholin-4-ylethyl)-2-oxo-2-phenylacetamide
CID 94274550
N-[2-(4-phenylpiperazin-1-yl)ethyl]oxane-4-carboxamide
CID 51077897
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-N'-(2-morpholin-4-ylethyl)oxamide
CID 29401175
N-(2-morpholin-4-ylethyl)-N'-[(2S)-2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]oxamide
CID 27564085
N'-cyclohexyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 42268287
N-(3-morpholin-4-ylpropyl)-4-phenylpiperazine-1-carboxamide
CID 14763453
N'-[(4-methylphenyl)methyl]-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 42268265
N'-(4-fluorophenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 42268330
N'-(2-morpholin-4-ylethyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]oxamide
CID 16892160
N-(2-morpholin-4-ylethyl)-N'-[(1S,2R)-1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]oxamide
CID 28821063
N-(2-morpholin-4-ylethyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109301579
(Z)-N-(2-morpholin-4-ylethyl)-2,3-diphenylprop-2-enamide
CID 890168

Frequently Asked Questions

What is the IUPAC name of N'-(2-morpholin-4-ylethyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide?
The IUPAC name of N'-(2-morpholin-4-ylethyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide (CID 29344676) is N'-(2-morpholin-4-ylethyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide.
What is the SMILES notation for N'-(2-morpholin-4-ylethyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide?
The canonical SMILES for N'-(2-morpholin-4-ylethyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide is O=C(NCCN1CCOCC1)C(=O)NCCN1CCN(c2ccccc2)CC1.
What is the InChIKey of N'-(2-morpholin-4-ylethyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide?
The InChIKey is YJECWOHPYXKQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O3/c26-19(20(27)22-7-9-24-14-16-28-17-15-24)21-6-8-23-10-12-25(13-11-23)18-4-2-1-3-5-18/h1-5H,6-17H2,(H,21,26)(H,22,27).
What are the key properties of N'-(2-morpholin-4-ylethyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide?
N'-(2-morpholin-4-ylethyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide has a molecular weight of 389.50 g/mol, XLogP of -0.63, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-morpholin-4-ylethyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide is sourced from PubChem (CID 29344676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).