4-[3-(2-morpholin-4-ylanilino)propanoyl]piperazine-1-carbaldehyde

C18H26N4O3 — CID 109017899

IUPAC4-[3-(2-morpholin-4-ylanilino)propanoyl]piperazine-1-carbaldehyde
SMILESO=CN1CCN(C(=O)CCNc2ccccc2N2CCOCC2)CC1
InChIInChI=1S/C18H26N4O3/c23-15-20-7-9-22(10-8-20)18(24)5-6-19-16-3-1-2-4-17(16)21-11-13-25-14-12-21/h1-4,15,19H,5-14H2
InChIKeyHYIUVRGVAYOQBL-UHFFFAOYSA-N
MW346.43 g/mol
LogP0.63
Rot. Bonds6

About 4-[3-(2-morpholin-4-ylanilino)propanoyl]piperazine-1-carbaldehyde

4-[3-(2-morpholin-4-ylanilino)propanoyl]piperazine-1-carbaldehyde (PubChem CID 109017899) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 4-[3-(2-morpholin-4-ylanilino)propanoyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[3-(2-morpholin-4-ylanilino)propanoyl]piperazine-1-carbaldehyde
PubChem CID109017899
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name4-[3-(2-morpholin-4-ylanilino)propanoyl]piperazine-1-carbaldehyde
SMILESO=CN1CCN(C(=O)CCNc2ccccc2N2CCOCC2)CC1
InChIInChI=1S/C18H26N4O3/c23-15-20-7-9-22(10-8-20)18(24)5-6-19-16-3-1-2-4-17(16)21-11-13-25-14-12-21/h1-4,15,19H,5-14H2
InChIKeyHYIUVRGVAYOQBL-UHFFFAOYSA-N
XLogP0.63
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-3-(2-morpholin-4-ylanilino)propanamide
CID 109015107
N-(2-ethylphenyl)-3-(2-morpholin-4-ylanilino)propanamide
CID 109036145
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-morpholin-4-ylanilino)ethanone
CID 109002262
N-cycloheptyl-3-(2-morpholin-4-ylanilino)propanamide
CID 109031514
3-(2-morpholin-4-ylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 109023269
4-[2-(2-morpholin-4-ylanilino)pyridine-4-carbonyl]piperazine-1-carbaldehyde
CID 109168896
4-[3-[2,6-di(propan-2-yl)anilino]propanoyl]piperazine-1-carbaldehyde
CID 109017912
N-butyl-N-methyl-3-(2-morpholin-4-ylanilino)propanamide
CID 109032404
3-(2-tert-butylanilino)-N-(2-morpholin-4-ylphenyl)propanamide
CID 109037337
4-[3-(3-fluoroanilino)propanoyl]piperazine-1-carbaldehyde
CID 109017904
4-[3-(3-chloroanilino)propanoyl]piperazine-1-carbaldehyde
CID 109017859
N-(2-morpholin-4-ylphenyl)-3-oxobutanamide
CID 18071535

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-morpholin-4-ylanilino)propanoyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[3-(2-morpholin-4-ylanilino)propanoyl]piperazine-1-carbaldehyde (CID 109017899) is 4-[3-(2-morpholin-4-ylanilino)propanoyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[3-(2-morpholin-4-ylanilino)propanoyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[3-(2-morpholin-4-ylanilino)propanoyl]piperazine-1-carbaldehyde is O=CN1CCN(C(=O)CCNc2ccccc2N2CCOCC2)CC1.
What is the InChIKey of 4-[3-(2-morpholin-4-ylanilino)propanoyl]piperazine-1-carbaldehyde?
The InChIKey is HYIUVRGVAYOQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c23-15-20-7-9-22(10-8-20)18(24)5-6-19-16-3-1-2-4-17(16)21-11-13-25-14-12-21/h1-4,15,19H,5-14H2.
What are the key properties of 4-[3-(2-morpholin-4-ylanilino)propanoyl]piperazine-1-carbaldehyde?
4-[3-(2-morpholin-4-ylanilino)propanoyl]piperazine-1-carbaldehyde has a molecular weight of 346.43 g/mol, XLogP of 0.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-morpholin-4-ylanilino)propanoyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 109017899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).