4-butoxy-N-ethyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide

C20H31N3O3 — CID 50779310

IUPAC4-butoxy-N-ethyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
SMILESCCCCOc1ccc(C(=O)N(CC)CCC(=O)N2CCNCC2)cc1
InChIInChI=1S/C20H31N3O3/c1-3-5-16-26-18-8-6-17(7-9-18)20(25)22(4-2)13-10-19(24)23-14-11-21-12-15-23/h6-9,21H,3-5,10-16H2,1-2H3
InChIKeyQJWWMAFJVLTSRU-UHFFFAOYSA-N
MW361.49 g/mol
LogP2.15
Rot. Bonds9

About 4-butoxy-N-ethyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide

4-butoxy-N-ethyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide (PubChem CID 50779310) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is 4-butoxy-N-ethyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name4-butoxy-N-ethyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
PubChem CID50779310
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Name4-butoxy-N-ethyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
SMILESCCCCOc1ccc(C(=O)N(CC)CCC(=O)N2CCNCC2)cc1
InChIInChI=1S/C20H31N3O3/c1-3-5-16-26-18-8-6-17(7-9-18)20(25)22(4-2)13-10-19(24)23-14-11-21-12-15-23/h6-9,21H,3-5,10-16H2,1-2H3
InChIKeyQJWWMAFJVLTSRU-UHFFFAOYSA-N
XLogP2.15
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-butoxy-N-[(3-methylphenyl)methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779594
4-butoxy-N-cycloheptyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779475
4-butoxy-N-[(3-chlorophenyl)methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide;2,2,2-trifluoroacetic acid
CID 146057598
4-ethoxy-N-[(4-fluorophenyl)methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779414
4-(4-pentoxyphenyl)-1-piperazin-1-ylbutan-1-one
CID 83932566
4-methoxy-N-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779618
N-(2-methoxyethyl)-4-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779269
1-piperazin-1-yl-3-(4-propanoylphenoxy)propan-1-one
CID 82147379
4-bromo-N-(3-methoxypropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779713
4-bromo-N-(2-methoxyethyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779430
4-bromo-N-butyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide;2,2,2-trifluoroacetic acid
CID 146057504
4-cyano-N-(3-oxo-3-piperazin-1-ylpropyl)-N-pentylbenzamide;2,2,2-trifluoroacetic acid
CID 146071297

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-ethyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide?
The IUPAC name of 4-butoxy-N-ethyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide (CID 50779310) is 4-butoxy-N-ethyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide.
What is the SMILES notation for 4-butoxy-N-ethyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide?
The canonical SMILES for 4-butoxy-N-ethyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide is CCCCOc1ccc(C(=O)N(CC)CCC(=O)N2CCNCC2)cc1.
What is the InChIKey of 4-butoxy-N-ethyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide?
The InChIKey is QJWWMAFJVLTSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-3-5-16-26-18-8-6-17(7-9-18)20(25)22(4-2)13-10-19(24)23-14-11-21-12-15-23/h6-9,21H,3-5,10-16H2,1-2H3.
What are the key properties of 4-butoxy-N-ethyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide?
4-butoxy-N-ethyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide has a molecular weight of 361.49 g/mol, XLogP of 2.15, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-ethyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide is sourced from PubChem (CID 50779310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).