2-[4-(4-amino-3-methoxybutanoyl)piperazin-1-yl]-N-(3-methoxypropyl)propanamide

C16H32N4O4 — CID 120596528

IUPAC2-[4-(4-amino-3-methoxybutanoyl)piperazin-1-yl]-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)N1CCN(C(=O)CC(CN)OC)CC1
InChIInChI=1S/C16H32N4O4/c1-13(16(22)18-5-4-10-23-2)19-6-8-20(9-7-19)15(21)11-14(12-17)24-3/h13-14H,4-12,17H2,1-3H3,(H,18,22)
InChIKeyGUQJTGRRXJDJKV-UHFFFAOYSA-N
MW344.46 g/mol
LogP-0.96
Rot. Bonds10

About 2-[4-(4-amino-3-methoxybutanoyl)piperazin-1-yl]-N-(3-methoxypropyl)propanamide

2-[4-(4-amino-3-methoxybutanoyl)piperazin-1-yl]-N-(3-methoxypropyl)propanamide (PubChem CID 120596528) has the molecular formula C16H32N4O4 and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-[4-(4-amino-3-methoxybutanoyl)piperazin-1-yl]-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name2-[4-(4-amino-3-methoxybutanoyl)piperazin-1-yl]-N-(3-methoxypropyl)propanamide
PubChem CID120596528
Molecular FormulaC16H32N4O4
Molecular Weight344.46 g/mol
Exact Mass344.24
IUPAC Name2-[4-(4-amino-3-methoxybutanoyl)piperazin-1-yl]-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)N1CCN(C(=O)CC(CN)OC)CC1
InChIInChI=1S/C16H32N4O4/c1-13(16(22)18-5-4-10-23-2)19-6-8-20(9-7-19)15(21)11-14(12-17)24-3/h13-14H,4-12,17H2,1-3H3,(H,18,22)
InChIKeyGUQJTGRRXJDJKV-UHFFFAOYSA-N
XLogP-0.96
TPSA97.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(1-Methoxyethyl)-3-oxopiperazine-1-carboxylic acid
CID 17985198
(3S)-1-acetyl-3-[(1R)-1-methoxyethyl]piperazin-2-one
CID 54357499
N-[(2S,3R)-3-hydroxy-1-morpholin-4-yl-1-oxobutan-2-yl]acetamide
CID 58677255
butyl 4-[(2S,3R)-2-amino-3-methoxybutanoyl]piperazine-1-carboxylate
CID 68599991
3-Methoxy-2-piperazin-1-ylbutanamide
CID 69091413
(3R)-2-amino-3-methoxy-1-morpholin-4-ylbutan-1-one;hydrochloride
CID 69153084
(3R)-2-amino-3-methoxy-1-morpholin-4-ylbutan-1-one
CID 69153085
(3S)-3-amino-1-[(1S,2R)-2-methoxy-1-(morpholin-4-ylcarbonyl)propyl]pyrrolidin-2-one
CID 69153235
(3S)-3-Amino-1-[(1S)-1-{[(1-methylethyl)oxy]methyl}-2-(4-morpholinyl)-2-oxoethyl]-2-pyrrolidinone
CID 69154209
2-[[(3S)-1-[(2S)-3-methoxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]amino]acetamide
CID 69612796
2-amino-N-[(3S)-1-[(2S)-3-methoxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]acetamide
CID 69612800
Butyl 4-(2-amino-3-methoxybutanoyl)piperazine-1-carboxylate
CID 77529293

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-amino-3-methoxybutanoyl)piperazin-1-yl]-N-(3-methoxypropyl)propanamide?
The IUPAC name of 2-[4-(4-amino-3-methoxybutanoyl)piperazin-1-yl]-N-(3-methoxypropyl)propanamide (CID 120596528) is 2-[4-(4-amino-3-methoxybutanoyl)piperazin-1-yl]-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 2-[4-(4-amino-3-methoxybutanoyl)piperazin-1-yl]-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 2-[4-(4-amino-3-methoxybutanoyl)piperazin-1-yl]-N-(3-methoxypropyl)propanamide is COCCCNC(=O)C(C)N1CCN(C(=O)CC(CN)OC)CC1.
What is the InChIKey of 2-[4-(4-amino-3-methoxybutanoyl)piperazin-1-yl]-N-(3-methoxypropyl)propanamide?
The InChIKey is GUQJTGRRXJDJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O4/c1-13(16(22)18-5-4-10-23-2)19-6-8-20(9-7-19)15(21)11-14(12-17)24-3/h13-14H,4-12,17H2,1-3H3,(H,18,22).
What are the key properties of 2-[4-(4-amino-3-methoxybutanoyl)piperazin-1-yl]-N-(3-methoxypropyl)propanamide?
2-[4-(4-amino-3-methoxybutanoyl)piperazin-1-yl]-N-(3-methoxypropyl)propanamide has a molecular weight of 344.46 g/mol, XLogP of -0.96, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-amino-3-methoxybutanoyl)piperazin-1-yl]-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 120596528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).