4-amino-N-[3-(4-benzylpiperazin-1-yl)propyl]-3-methoxybutanamide

C19H32N4O2 — CID 120597571

IUPAC4-amino-N-[3-(4-benzylpiperazin-1-yl)propyl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)NCCCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H32N4O2/c1-25-18(15-20)14-19(24)21-8-5-9-22-10-12-23(13-11-22)16-17-6-3-2-4-7-17/h2-4,6-7,18H,5,8-16,20H2,1H3,(H,21,24)
InChIKeyPASUOXJGKNSYBK-UHFFFAOYSA-N
MW348.49 g/mol
LogP0.67
Rot. Bonds10

About 4-amino-N-[3-(4-benzylpiperazin-1-yl)propyl]-3-methoxybutanamide

4-amino-N-[3-(4-benzylpiperazin-1-yl)propyl]-3-methoxybutanamide (PubChem CID 120597571) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 4-amino-N-[3-(4-benzylpiperazin-1-yl)propyl]-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-[3-(4-benzylpiperazin-1-yl)propyl]-3-methoxybutanamide
PubChem CID120597571
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name4-amino-N-[3-(4-benzylpiperazin-1-yl)propyl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)NCCCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H32N4O2/c1-25-18(15-20)14-19(24)21-8-5-9-22-10-12-23(13-11-22)16-17-6-3-2-4-7-17/h2-4,6-7,18H,5,8-16,20H2,1H3,(H,21,24)
InChIKeyPASUOXJGKNSYBK-UHFFFAOYSA-N
XLogP0.67
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 50.67
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

4-amino-N-[3-(4-benzylpiperazin-1-yl)propyl]butanamide;trihydrochloride
CID 119902006
4-amino-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-methoxybutanamide
CID 120597557
carbamothioic S-acid;O-methyl N-[3-(4-benzylpiperazin-1-yl)propyl]carbamothioate
CID 88677924
N-[4-(4-benzylpiperazin-1-yl)butyl]-2-(methylamino)acetamide
CID 120703889
2-chloroethyl N-[3-(4-benzylpiperazin-1-yl)propyl]carbamate
CID 18430905
4-amino-3-methoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide;dihydrochloride
CID 120594872
N-[3-(4-benzylpiperazin-1-yl)propyl]-2-(4-sulfamoylphenyl)acetamide
CID 56546473
1-amino-N-[3-(4-benzylpiperazin-1-yl)propyl]cyclopropane-1-carboxamide
CID 119901973
4-amino-N-[3-(benzenesulfonyl)propyl]-3-methoxybutanamide;hydrochloride
CID 120590590
1-[3-(4-benzylpiperazin-1-yl)propyl]-3-(2-hydroxyethyl)urea
CID 110894265
4-amino-3-methoxy-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide
CID 120595212
4-amino-3-methoxy-N-(3-pyrazol-1-ylpropyl)butanamide
CID 103156610

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(4-benzylpiperazin-1-yl)propyl]-3-methoxybutanamide?
The IUPAC name of 4-amino-N-[3-(4-benzylpiperazin-1-yl)propyl]-3-methoxybutanamide (CID 120597571) is 4-amino-N-[3-(4-benzylpiperazin-1-yl)propyl]-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-[3-(4-benzylpiperazin-1-yl)propyl]-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-[3-(4-benzylpiperazin-1-yl)propyl]-3-methoxybutanamide is COC(CN)CC(=O)NCCCN1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 4-amino-N-[3-(4-benzylpiperazin-1-yl)propyl]-3-methoxybutanamide?
The InChIKey is PASUOXJGKNSYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-25-18(15-20)14-19(24)21-8-5-9-22-10-12-23(13-11-22)16-17-6-3-2-4-7-17/h2-4,6-7,18H,5,8-16,20H2,1H3,(H,21,24).
What are the key properties of 4-amino-N-[3-(4-benzylpiperazin-1-yl)propyl]-3-methoxybutanamide?
4-amino-N-[3-(4-benzylpiperazin-1-yl)propyl]-3-methoxybutanamide has a molecular weight of 348.49 g/mol, XLogP of 0.67, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(4-benzylpiperazin-1-yl)propyl]-3-methoxybutanamide is sourced from PubChem (CID 120597571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).