N-[4-(difluoromethoxy)phenyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide

C18H19F2N3O4 — CID 8932791

IUPACN-[4-(difluoromethoxy)phenyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C18H19F2N3O4/c19-18(20)27-14-5-3-13(4-6-14)21-16(24)12-22-7-9-23(10-8-22)17(25)15-2-1-11-26-15/h1-6,11,18H,7-10,12H2,(H,21,24)
InChIKeyIUGPNLDWAKWXGR-UHFFFAOYSA-N
MW379.36 g/mol
LogP2.28
Rot. Bonds6

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

N-[4-(difluoromethoxy)phenyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide (PubChem CID 8932791) has the molecular formula C18H19F2N3O4 and a molecular weight of 379.36 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
PubChem CID8932791
Molecular FormulaC18H19F2N3O4
Molecular Weight379.36 g/mol
Exact Mass379.13
IUPAC NameN-[4-(difluoromethoxy)phenyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C18H19F2N3O4/c19-18(20)27-14-5-3-13(4-6-14)21-16(24)12-22-7-9-23(10-8-22)17(25)15-2-1-11-26-15/h1-6,11,18H,7-10,12H2,(H,21,24)
InChIKeyIUGPNLDWAKWXGR-UHFFFAOYSA-N
XLogP2.28
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.36
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 773151
N-(4-chlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 6470859
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 8704277
2-[4-[2-[4-(difluoromethoxy)phenyl]acetyl]piperazin-1-yl]-N-phenylacetamide
CID 34435186
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 8932674
2-(4-benzylpiperidin-1-yl)-N-[4-(difluoromethoxy)phenyl]acetamide;hydrochloride
CID 18778024
N-(3-chloro-4-cyanophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 3539401
N'-acetyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetohydrazide
CID 8548952
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 37375142
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 37375212
3-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]-N-methylbenzamide
CID 8549513
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-nitrophenyl)acetamide
CID 1452101

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide (CID 8932791) is N-[4-(difluoromethoxy)phenyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide is O=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is IUGPNLDWAKWXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O4/c19-18(20)27-14-5-3-13(4-6-14)21-16(24)12-22-7-9-23(10-8-22)17(25)15-2-1-11-26-15/h1-6,11,18H,7-10,12H2,(H,21,24).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide?
N-[4-(difluoromethoxy)phenyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 379.36 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 8932791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).