N-(butylcarbamoyl)-2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetamide

C19H27FN4O3 — CID 55828275

IUPACN-(butylcarbamoyl)-2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetamide
SMILESCCCCNC(=O)NC(=O)CN1CCN(C(=O)c2ccc(C)c(F)c2)CC1
InChIInChI=1S/C19H27FN4O3/c1-3-4-7-21-19(27)22-17(25)13-23-8-10-24(11-9-23)18(26)15-6-5-14(2)16(20)12-15/h5-6,12H,3-4,7-11,13H2,1-2H3,(H2,21,22,25,27)
InChIKeyDOBJOULRJQDVDT-UHFFFAOYSA-N
MW378.45 g/mol
LogP1.52
Rot. Bonds6

About N-(butylcarbamoyl)-2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetamide

N-(butylcarbamoyl)-2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetamide (PubChem CID 55828275) has the molecular formula C19H27FN4O3 and a molecular weight of 378.45 g/mol. Its IUPAC name is N-(butylcarbamoyl)-2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(butylcarbamoyl)-2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetamide
PubChem CID55828275
Molecular FormulaC19H27FN4O3
Molecular Weight378.45 g/mol
Exact Mass378.21
IUPAC NameN-(butylcarbamoyl)-2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetamide
SMILESCCCCNC(=O)NC(=O)CN1CCN(C(=O)c2ccc(C)c(F)c2)CC1
InChIInChI=1S/C19H27FN4O3/c1-3-4-7-21-19(27)22-17(25)13-23-8-10-24(11-9-23)18(26)15-6-5-14(2)16(20)12-15/h5-6,12H,3-4,7-11,13H2,1-2H3,(H2,21,22,25,27)
InChIKeyDOBJOULRJQDVDT-UHFFFAOYSA-N
XLogP1.52
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(butylcarbamoyl)-2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide
CID 18163310
2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 60514264
N-(3,4-difluorophenyl)-2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetamide
CID 55839650
N-butyl-2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]acetamide
CID 35357599
1-(4-acetylpiperazin-1-yl)-2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]ethanone
CID 60505688
N-(3-chloro-4-fluorophenyl)-2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetamide
CID 52683910
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-[(3-fluoro-4-methylphenyl)methyl]acetamide
CID 36877786
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 36875625
(3-fluoro-4-methylphenyl)-[4-(5-hydroxypentyl)piperazin-1-yl]methanone
CID 110923840
2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-N-(2-phenylphenyl)acetamide
CID 60514292
2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 60503003
N-butyl-2-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]acetamide
CID 43020080

Frequently Asked Questions

What is the IUPAC name of N-(butylcarbamoyl)-2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(butylcarbamoyl)-2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetamide (CID 55828275) is N-(butylcarbamoyl)-2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(butylcarbamoyl)-2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(butylcarbamoyl)-2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetamide is CCCCNC(=O)NC(=O)CN1CCN(C(=O)c2ccc(C)c(F)c2)CC1.
What is the InChIKey of N-(butylcarbamoyl)-2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetamide?
The InChIKey is DOBJOULRJQDVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN4O3/c1-3-4-7-21-19(27)22-17(25)13-23-8-10-24(11-9-23)18(26)15-6-5-14(2)16(20)12-15/h5-6,12H,3-4,7-11,13H2,1-2H3,(H2,21,22,25,27).
What are the key properties of N-(butylcarbamoyl)-2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetamide?
N-(butylcarbamoyl)-2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetamide has a molecular weight of 378.45 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(butylcarbamoyl)-2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 55828275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).