2-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-phenylpropyl)propanamide

C21H34N4O3 — CID 55432632

IUPAC2-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-phenylpropyl)propanamide
SMILESCOCCNC(=O)CN1CCN(C(C)C(=O)NCC(C)c2ccccc2)CC1
InChIInChI=1S/C21H34N4O3/c1-17(19-7-5-4-6-8-19)15-23-21(27)18(2)25-12-10-24(11-13-25)16-20(26)22-9-14-28-3/h4-8,17-18H,9-16H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyZUPVAUKCIVECBL-UHFFFAOYSA-N
MW390.53 g/mol
LogP0.68
Rot. Bonds10

About 2-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-phenylpropyl)propanamide

2-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-phenylpropyl)propanamide (PubChem CID 55432632) has the molecular formula C21H34N4O3 and a molecular weight of 390.53 g/mol. Its IUPAC name is 2-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-phenylpropyl)propanamide.

Molecular Properties

Compound Name2-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-phenylpropyl)propanamide
PubChem CID55432632
Molecular FormulaC21H34N4O3
Molecular Weight390.53 g/mol
Exact Mass390.26
IUPAC Name2-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-phenylpropyl)propanamide
SMILESCOCCNC(=O)CN1CCN(C(C)C(=O)NCC(C)c2ccccc2)CC1
InChIInChI=1S/C21H34N4O3/c1-17(19-7-5-4-6-8-19)15-23-21(27)18(2)25-12-10-24(11-13-25)16-20(26)22-9-14-28-3/h4-8,17-18H,9-16H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyZUPVAUKCIVECBL-UHFFFAOYSA-N
XLogP0.68
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2-methoxyethyl)piperazin-1-yl]-N-(2-phenylpropyl)propanamide
CID 56809559
N-[(2-chlorophenyl)methyl]-2-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 24507244
(2R)-2-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)propanamide
CID 9275184
2-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 51632258
2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 119836348
2-[4-(3-amino-2-methyl-3-phenylpropanoyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 119836370
N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 55534126
(2R)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)propanamide
CID 30722149
2-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]-N,N-dimethylpropanamide
CID 24513106
2-[4-[2-[[cyclopentyl(phenyl)methyl]amino]-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 60502756
N-(2-methoxyethyl)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 30960234
methyl 1-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl]piperidine-4-carboxylate
CID 8754473

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-phenylpropyl)propanamide?
The IUPAC name of 2-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-phenylpropyl)propanamide (CID 55432632) is 2-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-phenylpropyl)propanamide.
What is the SMILES notation for 2-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-phenylpropyl)propanamide?
The canonical SMILES for 2-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-phenylpropyl)propanamide is COCCNC(=O)CN1CCN(C(C)C(=O)NCC(C)c2ccccc2)CC1.
What is the InChIKey of 2-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-phenylpropyl)propanamide?
The InChIKey is ZUPVAUKCIVECBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O3/c1-17(19-7-5-4-6-8-19)15-23-21(27)18(2)25-12-10-24(11-13-25)16-20(26)22-9-14-28-3/h4-8,17-18H,9-16H2,1-3H3,(H,22,26)(H,23,27).
What are the key properties of 2-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-phenylpropyl)propanamide?
2-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-phenylpropyl)propanamide has a molecular weight of 390.53 g/mol, XLogP of 0.68, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-phenylpropyl)propanamide is sourced from PubChem (CID 55432632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).