N-(3-morpholin-4-ylpropyl)-N'-(2-piperazin-1-ylethyl)oxamide

C15H29N5O3 — CID 108517732

IUPACN-(3-morpholin-4-ylpropyl)-N'-(2-piperazin-1-ylethyl)oxamide
SMILESO=C(NCCCN1CCOCC1)C(=O)NCCN1CCNCC1
InChIInChI=1S/C15H29N5O3/c21-14(17-2-1-6-19-10-12-23-13-11-19)15(22)18-5-9-20-7-3-16-4-8-20/h16H,1-13H2,(H,17,21)(H,18,22)
InChIKeyXPTHBRKWHACKSE-UHFFFAOYSA-N
MW327.43 g/mol
LogP-2.15
Rot. Bonds7

About N-(3-morpholin-4-ylpropyl)-N'-(2-piperazin-1-ylethyl)oxamide

N-(3-morpholin-4-ylpropyl)-N'-(2-piperazin-1-ylethyl)oxamide (PubChem CID 108517732) has the molecular formula C15H29N5O3 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-N'-(2-piperazin-1-ylethyl)oxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-N'-(2-piperazin-1-ylethyl)oxamide
PubChem CID108517732
Molecular FormulaC15H29N5O3
Molecular Weight327.43 g/mol
Exact Mass327.23
IUPAC NameN-(3-morpholin-4-ylpropyl)-N'-(2-piperazin-1-ylethyl)oxamide
SMILESO=C(NCCCN1CCOCC1)C(=O)NCCN1CCNCC1
InChIInChI=1S/C15H29N5O3/c21-14(17-2-1-6-19-10-12-23-13-11-19)15(22)18-5-9-20-7-3-16-4-8-20/h16H,1-13H2,(H,17,21)(H,18,22)
InChIKeyXPTHBRKWHACKSE-UHFFFAOYSA-N
XLogP-2.15
TPSA85.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 5-2.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-morpholin-4-ylpropyl)-N'-(piperidine-4-carbonyl)oxamide
CID 108518524
2-(3-morpholin-4-ylpropylamino)-2-oxoacetic acid
CID 43444981
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-N'-(2-morpholin-4-ylethyl)oxamide
CID 29401175
N'-(3-morpholin-4-ylpropyl)-N-octadecyloxamide
CID 18968645
N,N'-bis(3-morpholin-4-ylpropyl)propanediamide
CID 21205309
N'-(2-morpholin-4-ylphenyl)-N-(2-piperazin-1-ylethyl)oxamide
CID 108517876
(Z)-2-cyano-3-morpholin-4-yl-N-(2-piperazin-1-ylethyl)prop-2-enamide
CID 108863767
3-ethyl-2-morpholin-4-yl-N-(3-piperazin-1-ylpropyl)pentanamide;dihydrochloride
CID 119393081
ethyl 2-oxo-2-(3-piperazin-1-ylpropylamino)acetate
CID 61408291
(4R)-N-(3-morpholin-4-ylpropyl)azepane-4-carboxamide
CID 125446683
2,3-dimethyl-N-(4-morpholin-4-ylbutyl)but-2-enamide
CID 123810381
2-bromo-N-(3-morpholin-4-ylpropyl)acetamide
CID 52984035

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-N'-(2-piperazin-1-ylethyl)oxamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-N'-(2-piperazin-1-ylethyl)oxamide (CID 108517732) is N-(3-morpholin-4-ylpropyl)-N'-(2-piperazin-1-ylethyl)oxamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-N'-(2-piperazin-1-ylethyl)oxamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-N'-(2-piperazin-1-ylethyl)oxamide is O=C(NCCCN1CCOCC1)C(=O)NCCN1CCNCC1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-N'-(2-piperazin-1-ylethyl)oxamide?
The InChIKey is XPTHBRKWHACKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5O3/c21-14(17-2-1-6-19-10-12-23-13-11-19)15(22)18-5-9-20-7-3-16-4-8-20/h16H,1-13H2,(H,17,21)(H,18,22).
What are the key properties of N-(3-morpholin-4-ylpropyl)-N'-(2-piperazin-1-ylethyl)oxamide?
N-(3-morpholin-4-ylpropyl)-N'-(2-piperazin-1-ylethyl)oxamide has a molecular weight of 327.43 g/mol, XLogP of -2.15, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-N'-(2-piperazin-1-ylethyl)oxamide is sourced from PubChem (CID 108517732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).