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

C21H24FN3O3 — CID 78898984

IUPACN-(2-fluorophenyl)-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide
SMILESCOc1cc(C(=O)N2CCN(CC(=O)Nc3ccccc3F)CC2)ccc1C
InChIInChI=1S/C21H24FN3O3/c1-15-7-8-16(13-19(15)28-2)21(27)25-11-9-24(10-12-25)14-20(26)23-18-6-4-3-5-17(18)22/h3-8,13H,9-12,14H2,1-2H3,(H,23,26)
InChIKeyYWZXDBZTCDUMMX-UHFFFAOYSA-N
MW385.44 g/mol
LogP2.54
Rot. Bonds5

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

N-(2-fluorophenyl)-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide (PubChem CID 78898984) has the molecular formula C21H24FN3O3 and a molecular weight of 385.44 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide
PubChem CID78898984
Molecular FormulaC21H24FN3O3
Molecular Weight385.44 g/mol
Exact Mass385.18
IUPAC NameN-(2-fluorophenyl)-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide
SMILESCOc1cc(C(=O)N2CCN(CC(=O)Nc3ccccc3F)CC2)ccc1C
InChIInChI=1S/C21H24FN3O3/c1-15-7-8-16(13-19(15)28-2)21(27)25-11-9-24(10-12-25)14-20(26)23-18-6-4-3-5-17(18)22/h3-8,13H,9-12,14H2,1-2H3,(H,23,26)
InChIKeyYWZXDBZTCDUMMX-UHFFFAOYSA-N
XLogP2.54
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dichlorophenyl)-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide
CID 78900057
N-(2-fluorophenyl)-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]propanamide
CID 60502336
2-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9429563
2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 60512130
2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-N-(2-phenylphenyl)acetamide
CID 60514292
N-[(4-fluorophenyl)methyl]-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide
CID 60512190
N-(2-chlorophenyl)-2-[4-(3,5-dimethoxy-4-methylbenzoyl)piperazin-1-yl]acetamide
CID 31333305
N-butyl-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide
CID 18163310
N-(2,5-difluorophenyl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide
CID 35228132
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide
CID 30776742
N-cyclohexyl-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide
CID 87017869
2-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 3238032

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide (CID 78898984) is N-(2-fluorophenyl)-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide is COc1cc(C(=O)N2CCN(CC(=O)Nc3ccccc3F)CC2)ccc1C.
What is the InChIKey of N-(2-fluorophenyl)-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide?
The InChIKey is YWZXDBZTCDUMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O3/c1-15-7-8-16(13-19(15)28-2)21(27)25-11-9-24(10-12-25)14-20(26)23-18-6-4-3-5-17(18)22/h3-8,13H,9-12,14H2,1-2H3,(H,23,26).
What are the key properties of N-(2-fluorophenyl)-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide?
N-(2-fluorophenyl)-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide has a molecular weight of 385.44 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 78898984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).