N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]acetamide

C21H25F2N3O4 — CID 86879228

IUPACN-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]acetamide
SMILESCc1ccc(C(=O)N2CCN(CC(=O)N(C)Cc3ccc(OC(F)F)cc3)CC2)o1
InChIInChI=1S/C21H25F2N3O4/c1-15-3-8-18(29-15)20(28)26-11-9-25(10-12-26)14-19(27)24(2)13-16-4-6-17(7-5-16)30-21(22)23/h3-8,21H,9-14H2,1-2H3
InChIKeyAZPJLIKXUDYIAB-UHFFFAOYSA-N
MW421.44 g/mol
LogP2.61
Rot. Bonds7

About N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]acetamide

N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]acetamide (PubChem CID 86879228) has the molecular formula C21H25F2N3O4 and a molecular weight of 421.44 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]acetamide
PubChem CID86879228
Molecular FormulaC21H25F2N3O4
Molecular Weight421.44 g/mol
Exact Mass421.18
IUPAC NameN-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]acetamide
SMILESCc1ccc(C(=O)N2CCN(CC(=O)N(C)Cc3ccc(OC(F)F)cc3)CC2)o1
InChIInChI=1S/C21H25F2N3O4/c1-15-3-8-18(29-15)20(28)26-11-9-25(10-12-26)14-19(27)24(2)13-16-4-6-17(7-5-16)30-21(22)23/h3-8,21H,9-14H2,1-2H3
InChIKeyAZPJLIKXUDYIAB-UHFFFAOYSA-N
XLogP2.61
TPSA66.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.44
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-benzoylpiperazin-1-yl)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide;oxalic acid
CID 42913906
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(3-hydroxypiperidin-1-yl)-N-methylacetamide
CID 78787306
2-[(8aS)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl]-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
CID 97248546
3-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide
CID 43470699
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-methylacetamide
CID 51140706
2-(4-acetyl-1,4-diazepan-1-yl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylacetamide
CID 17495525
4-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]-N,N-dimethylpiperazine-1-carboxamide
CID 52673339
2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 9130486
2-(cyclopropylmethylamino)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide;hydrochloride
CID 119681823
4-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbutanamide
CID 55206157
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 84602635
2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 78877327

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]acetamide (CID 86879228) is N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]acetamide is Cc1ccc(C(=O)N2CCN(CC(=O)N(C)Cc3ccc(OC(F)F)cc3)CC2)o1.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is AZPJLIKXUDYIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2N3O4/c1-15-3-8-18(29-15)20(28)26-11-9-25(10-12-26)14-19(27)24(2)13-16-4-6-17(7-5-16)30-21(22)23/h3-8,21H,9-14H2,1-2H3.
What are the key properties of N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]acetamide?
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 421.44 g/mol, XLogP of 2.61, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 86879228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).