3-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-3-oxopropanamide

C14H26N4O3 — CID 108943967

IUPAC3-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-3-oxopropanamide
SMILESCN1CCN(C(=O)CC(=O)NCCN2CCOCC2)CC1
InChIInChI=1S/C14H26N4O3/c1-16-4-6-18(7-5-16)14(20)12-13(19)15-2-3-17-8-10-21-11-9-17/h2-12H2,1H3,(H,15,19)
InChIKeyUWQPTRQMXYRSSD-UHFFFAOYSA-N
MW298.39 g/mol
LogP-1.40
Rot. Bonds5

About 3-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-3-oxopropanamide

3-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-3-oxopropanamide (PubChem CID 108943967) has the molecular formula C14H26N4O3 and a molecular weight of 298.39 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-3-oxopropanamide.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-3-oxopropanamide
PubChem CID108943967
Molecular FormulaC14H26N4O3
Molecular Weight298.39 g/mol
Exact Mass298.20
IUPAC Name3-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-3-oxopropanamide
SMILESCN1CCN(C(=O)CC(=O)NCCN2CCOCC2)CC1
InChIInChI=1S/C14H26N4O3/c1-16-4-6-18(7-5-16)14(20)12-13(19)15-2-3-17-8-10-21-11-9-17/h2-12H2,1H3,(H,15,19)
InChIKeyUWQPTRQMXYRSSD-UHFFFAOYSA-N
XLogP-1.40
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 5-1.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-3-oxopropanamide
CID 108943424
4-(2-morpholin-4-ylethylamino)-4-oxobutanoyl chloride
CID 39256191
3-[2-(4-methylpiperazin-1-yl)ethylamino]-3-oxopropanoic acid
CID 62230217
N,N'-bis(3-morpholin-4-ylpropyl)propanediamide
CID 21205309
N-(2-morpholin-4-ylethyl)pentanamide;sulfuric acid
CID 162122494
3-(2-ethylpiperidin-1-yl)-N-(2-morpholin-4-ylethyl)-3-oxopropanamide
CID 108944029
1-(4-acetylpiperazin-1-yl)-3-(2-morpholin-4-ylethylamino)propan-1-one
CID 109016693
6-amino-N-(2-morpholin-4-ylethyl)hexanamide
CID 24707853
1-(2-morpholin-4-ylethyl)-3-propylurea
CID 4583080
N-(3-morpholin-4-ylpropyl)butanamide
CID 4162480
2-(4-methylpiperidin-1-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 108993688
ethyl 4-[2-(2-morpholin-4-ylethylamino)acetyl]piperazine-1-carboxylate
CID 108994784

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-3-oxopropanamide?
The IUPAC name of 3-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-3-oxopropanamide (CID 108943967) is 3-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-3-oxopropanamide.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-3-oxopropanamide?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-3-oxopropanamide is CN1CCN(C(=O)CC(=O)NCCN2CCOCC2)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-3-oxopropanamide?
The InChIKey is UWQPTRQMXYRSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O3/c1-16-4-6-18(7-5-16)14(20)12-13(19)15-2-3-17-8-10-21-11-9-17/h2-12H2,1H3,(H,15,19).
What are the key properties of 3-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-3-oxopropanamide?
3-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-3-oxopropanamide has a molecular weight of 298.39 g/mol, XLogP of -1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-3-oxopropanamide is sourced from PubChem (CID 108943967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).