N-[(4-fluorophenyl)methyl]-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide

C22H26FN3O3 — CID 60512190

IUPACN-[(4-fluorophenyl)methyl]-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide
SMILESCOc1cc(C(=O)N2CCN(CC(=O)NCc3ccc(F)cc3)CC2)ccc1C
InChIInChI=1S/C22H26FN3O3/c1-16-3-6-18(13-20(16)29-2)22(28)26-11-9-25(10-12-26)15-21(27)24-14-17-4-7-19(23)8-5-17/h3-8,13H,9-12,14-15H2,1-2H3,(H,24,27)
InChIKeyGBWMJTXZOBCRGZ-UHFFFAOYSA-N
MW399.47 g/mol
LogP2.22
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide

N-[(4-fluorophenyl)methyl]-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide (PubChem CID 60512190) has the molecular formula C22H26FN3O3 and a molecular weight of 399.47 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide
PubChem CID60512190
Molecular FormulaC22H26FN3O3
Molecular Weight399.47 g/mol
Exact Mass399.20
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide
SMILESCOc1cc(C(=O)N2CCN(CC(=O)NCc3ccc(F)cc3)CC2)ccc1C
InChIInChI=1S/C22H26FN3O3/c1-16-3-6-18(13-20(16)29-2)22(28)26-11-9-25(10-12-26)15-21(27)24-14-17-4-7-19(23)8-5-17/h3-8,13H,9-12,14-15H2,1-2H3,(H,24,27)
InChIKeyGBWMJTXZOBCRGZ-UHFFFAOYSA-N
XLogP2.22
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 60514264
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-[(3-fluoro-4-methylphenyl)methyl]acetamide
CID 36877786
N-butyl-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide
CID 18163310
N-benzyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]acetamide
CID 18140436
[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 18284827
2-[4-(3-methoxybenzoyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 35228408
2-(3-methoxy-4-methylphenyl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]acetamide
CID 55709108
N-(2-fluorophenyl)-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide
CID 78898984
[4-(3,5-difluorobenzoyl)piperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 55808045
2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 9436194
N-cyclohexyl-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide
CID 87017869
2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 60512130

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide (CID 60512190) is N-[(4-fluorophenyl)methyl]-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide is COc1cc(C(=O)N2CCN(CC(=O)NCc3ccc(F)cc3)CC2)ccc1C.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide?
The InChIKey is GBWMJTXZOBCRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O3/c1-16-3-6-18(13-20(16)29-2)22(28)26-11-9-25(10-12-26)15-21(27)24-14-17-4-7-19(23)8-5-17/h3-8,13H,9-12,14-15H2,1-2H3,(H,24,27).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide?
N-[(4-fluorophenyl)methyl]-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide has a molecular weight of 399.47 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 60512190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).