2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide

C21H26FN3O3 — CID 60505633

IUPAC2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
SMILESCc1ccc(CN(C)C(=O)CN2CCN(C(=O)c3ccc(C)c(F)c3)CC2)o1
InChIInChI=1S/C21H26FN3O3/c1-15-4-6-17(12-19(15)22)21(27)25-10-8-24(9-11-25)14-20(26)23(3)13-18-7-5-16(2)28-18/h4-7,12H,8-11,13-14H2,1-3H3
InChIKeyLPFAZEXUIXFSSV-UHFFFAOYSA-N
MW387.46 g/mol
LogP2.45
Rot. Bonds5

About 2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide

2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide (PubChem CID 60505633) has the molecular formula C21H26FN3O3 and a molecular weight of 387.46 g/mol. Its IUPAC name is 2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
PubChem CID60505633
Molecular FormulaC21H26FN3O3
Molecular Weight387.46 g/mol
Exact Mass387.20
IUPAC Name2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
SMILESCc1ccc(CN(C)C(=O)CN2CCN(C(=O)c3ccc(C)c(F)c3)CC2)o1
InChIInChI=1S/C21H26FN3O3/c1-15-4-6-17(12-19(15)22)21(27)25-10-8-24(9-11-25)14-20(26)23(3)13-18-7-5-16(2)28-18/h4-7,12H,8-11,13-14H2,1-3H3
InChIKeyLPFAZEXUIXFSSV-UHFFFAOYSA-N
XLogP2.45
TPSA57.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide with MolForge

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Related Compounds

2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 78877327
1-(4-acetylpiperazin-1-yl)-2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]ethanone
CID 60505688
[4-(2-bromoethyl)piperazin-1-yl]-(3-fluoro-4-methylphenyl)methanone
CID 80660633
2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetonitrile
CID 47280720
2-(4-benzoylpiperazin-1-ium-1-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 8597039
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 8692545
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 134055397
(3-fluoro-4-methylphenyl)-[4-(5-hydroxypentyl)piperazin-1-yl]methanone
CID 110923840
1-(2,6-dimethylpiperidin-1-yl)-2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]ethanone
CID 60505763
N-(3,4-difluorophenyl)-2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetamide
CID 55839650
N-(butylcarbamoyl)-2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetamide
CID 55828275
2-[4-(4-fluoro-3-methylbenzoyl)piperazin-1-yl]acetic acid
CID 63209941

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide?
The IUPAC name of 2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide (CID 60505633) is 2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide?
The canonical SMILES for 2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide is Cc1ccc(CN(C)C(=O)CN2CCN(C(=O)c3ccc(C)c(F)c3)CC2)o1.
What is the InChIKey of 2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide?
The InChIKey is LPFAZEXUIXFSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O3/c1-15-4-6-17(12-19(15)22)21(27)25-10-8-24(9-11-25)14-20(26)23(3)13-18-7-5-16(2)28-18/h4-7,12H,8-11,13-14H2,1-3H3.
What are the key properties of 2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide?
2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide has a molecular weight of 387.46 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide is sourced from PubChem (CID 60505633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).