N'-(2-morpholin-4-ylphenyl)-N-(2-piperazin-1-ylethyl)oxamide

C18H27N5O3 — CID 108517876

IUPACN'-(2-morpholin-4-ylphenyl)-N-(2-piperazin-1-ylethyl)oxamide
SMILESO=C(NCCN1CCNCC1)C(=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C18H27N5O3/c24-17(20-7-10-22-8-5-19-6-9-22)18(25)21-15-3-1-2-4-16(15)23-11-13-26-14-12-23/h1-4,19H,5-14H2,(H,20,24)(H,21,25)
InChIKeyKLXKWXQQQYLWJH-UHFFFAOYSA-N
MW361.45 g/mol
LogP-0.52
Rot. Bonds5

About N'-(2-morpholin-4-ylphenyl)-N-(2-piperazin-1-ylethyl)oxamide

N'-(2-morpholin-4-ylphenyl)-N-(2-piperazin-1-ylethyl)oxamide (PubChem CID 108517876) has the molecular formula C18H27N5O3 and a molecular weight of 361.45 g/mol. Its IUPAC name is N'-(2-morpholin-4-ylphenyl)-N-(2-piperazin-1-ylethyl)oxamide.

Molecular Properties

Compound NameN'-(2-morpholin-4-ylphenyl)-N-(2-piperazin-1-ylethyl)oxamide
PubChem CID108517876
Molecular FormulaC18H27N5O3
Molecular Weight361.45 g/mol
Exact Mass361.21
IUPAC NameN'-(2-morpholin-4-ylphenyl)-N-(2-piperazin-1-ylethyl)oxamide
SMILESO=C(NCCN1CCNCC1)C(=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C18H27N5O3/c24-17(20-7-10-22-8-5-19-6-9-22)18(25)21-15-3-1-2-4-16(15)23-11-13-26-14-12-23/h1-4,19H,5-14H2,(H,20,24)(H,21,25)
InChIKeyKLXKWXQQQYLWJH-UHFFFAOYSA-N
XLogP-0.52
TPSA85.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-N'-(2-morpholin-4-ylphenyl)oxamide
CID 108524772
N-(3-morpholin-4-ylpropyl)-N'-(2-piperazin-1-ylethyl)oxamide
CID 108517732
N-(3-butoxypropyl)-N'-(2-morpholin-4-ylphenyl)oxamide
CID 108506578
N-(2-morpholin-4-ylphenyl)piperidine-4-carboxamide
CID 43708109
N-[(4-chlorophenyl)methyl]-N'-(2-morpholin-4-ylphenyl)oxamide
CID 108507752
N-(2-morpholin-4-ylphenyl)-3-piperidin-1-ylpropanamide
CID 110688369
ethyl 2-[[2-(2-morpholin-4-ylethylamino)-2-oxoacetyl]amino]benzoate
CID 108501776
1-(2-morpholin-4-ylphenyl)-3-propylurea
CID 110755134
N'-(2,5-dichlorophenyl)-N-(2-piperazin-1-ylethyl)oxamide
CID 108500963
N'-(2-chlorophenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 2291374
2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)-2-oxoacetamide
CID 108517102
N',N'-diethyl-N-(2-morpholin-4-ylphenyl)oxamide
CID 108526068

Frequently Asked Questions

What is the IUPAC name of N'-(2-morpholin-4-ylphenyl)-N-(2-piperazin-1-ylethyl)oxamide?
The IUPAC name of N'-(2-morpholin-4-ylphenyl)-N-(2-piperazin-1-ylethyl)oxamide (CID 108517876) is N'-(2-morpholin-4-ylphenyl)-N-(2-piperazin-1-ylethyl)oxamide.
What is the SMILES notation for N'-(2-morpholin-4-ylphenyl)-N-(2-piperazin-1-ylethyl)oxamide?
The canonical SMILES for N'-(2-morpholin-4-ylphenyl)-N-(2-piperazin-1-ylethyl)oxamide is O=C(NCCN1CCNCC1)C(=O)Nc1ccccc1N1CCOCC1.
What is the InChIKey of N'-(2-morpholin-4-ylphenyl)-N-(2-piperazin-1-ylethyl)oxamide?
The InChIKey is KLXKWXQQQYLWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O3/c24-17(20-7-10-22-8-5-19-6-9-22)18(25)21-15-3-1-2-4-16(15)23-11-13-26-14-12-23/h1-4,19H,5-14H2,(H,20,24)(H,21,25).
What are the key properties of N'-(2-morpholin-4-ylphenyl)-N-(2-piperazin-1-ylethyl)oxamide?
N'-(2-morpholin-4-ylphenyl)-N-(2-piperazin-1-ylethyl)oxamide has a molecular weight of 361.45 g/mol, XLogP of -0.52, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-morpholin-4-ylphenyl)-N-(2-piperazin-1-ylethyl)oxamide is sourced from PubChem (CID 108517876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).