N-butyl-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]benzamide

C20H31N3O2 — CID 110675110

IUPACN-butyl-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]benzamide
SMILESCCCCNC(=O)c1ccc(N2CCN(C(=O)C(C)(C)C)CC2)cc1
InChIInChI=1S/C20H31N3O2/c1-5-6-11-21-18(24)16-7-9-17(10-8-16)22-12-14-23(15-13-22)19(25)20(2,3)4/h7-10H,5-6,11-15H2,1-4H3,(H,21,24)
InChIKeyHSCPAQWYXULHEL-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.91
Rot. Bonds5

About N-butyl-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]benzamide

N-butyl-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]benzamide (PubChem CID 110675110) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-butyl-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]benzamide.

Molecular Properties

Compound NameN-butyl-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]benzamide
PubChem CID110675110
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC NameN-butyl-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]benzamide
SMILESCCCCNC(=O)c1ccc(N2CCN(C(=O)C(C)(C)C)CC2)cc1
InChIInChI=1S/C20H31N3O2/c1-5-6-11-21-18(24)16-7-9-17(10-8-16)22-12-14-23(15-13-22)19(25)20(2,3)4/h7-10H,5-6,11-15H2,1-4H3,(H,21,24)
InChIKeyHSCPAQWYXULHEL-UHFFFAOYSA-N
XLogP2.91
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4,4-dimethylpentyl)-4-pyrrolidin-1-ylbenzamide
CID 110617789
2,2-dimethyl-3-oxo-N-pentyl-3-(4-phenylpiperazin-1-yl)propanamide
CID 108964842
N-butyl-4-(4-methylphenyl)piperazine-1-carboxamide
CID 113103875
N-butyl-4-phenylpiperazine-1-carboxamide
CID 3547607
4-ethyl-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]benzamide
CID 42224820
CID 131885807
CID 131885807
N-butyl-4-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 113103898
N-(3-aminopropyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 119408955
N-(4-triethoxysilylbutyl)-4-[4,8,11-tris[4-(4-triethoxysilylbutylcarbamoyl)phenyl]-1,4,8,11-tetrazacyclotetradec-1-yl]benzamide
CID 101222395
5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-pentylpyridine-3-carboxamide
CID 109106571
4-tert-butyl-N-nonylbenzamide
CID 4642451
1-N-butyl-3-N-(4-piperidin-1-ylphenyl)benzene-1,3-dicarboxamide
CID 109051202

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]benzamide?
The IUPAC name of N-butyl-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]benzamide (CID 110675110) is N-butyl-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]benzamide.
What is the SMILES notation for N-butyl-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]benzamide?
The canonical SMILES for N-butyl-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]benzamide is CCCCNC(=O)c1ccc(N2CCN(C(=O)C(C)(C)C)CC2)cc1.
What is the InChIKey of N-butyl-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]benzamide?
The InChIKey is HSCPAQWYXULHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-5-6-11-21-18(24)16-7-9-17(10-8-16)22-12-14-23(15-13-22)19(25)20(2,3)4/h7-10H,5-6,11-15H2,1-4H3,(H,21,24).
What are the key properties of N-butyl-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]benzamide?
N-butyl-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]benzamide has a molecular weight of 345.49 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]benzamide is sourced from PubChem (CID 110675110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).