N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]acetamide

C21H26FN3O3 — CID 56884528

IUPACN-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]acetamide
SMILESCC(C)(Cc1ccc(F)cc1)NC(=O)CC1C(=O)NCCN1Cc1ccoc1
InChIInChI=1S/C21H26FN3O3/c1-21(2,12-15-3-5-17(22)6-4-15)24-19(26)11-18-20(27)23-8-9-25(18)13-16-7-10-28-14-16/h3-7,10,14,18H,8-9,11-13H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyYIMHMYJRRJSSMI-UHFFFAOYSA-N
MW387.46 g/mol
LogP2.25
Rot. Bonds7

About N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]acetamide

N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]acetamide (PubChem CID 56884528) has the molecular formula C21H26FN3O3 and a molecular weight of 387.46 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]acetamide
PubChem CID56884528
Molecular FormulaC21H26FN3O3
Molecular Weight387.46 g/mol
Exact Mass387.20
IUPAC NameN-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]acetamide
SMILESCC(C)(Cc1ccc(F)cc1)NC(=O)CC1C(=O)NCCN1Cc1ccoc1
InChIInChI=1S/C21H26FN3O3/c1-21(2,12-15-3-5-17(22)6-4-15)24-19(26)11-18-20(27)23-8-9-25(18)13-16-7-10-28-14-16/h3-7,10,14,18H,8-9,11-13H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyYIMHMYJRRJSSMI-UHFFFAOYSA-N
XLogP2.25
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]acetamide?
The IUPAC name of N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]acetamide (CID 56884528) is N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]acetamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]acetamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]acetamide is CC(C)(Cc1ccc(F)cc1)NC(=O)CC1C(=O)NCCN1Cc1ccoc1.
What is the InChIKey of N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]acetamide?
The InChIKey is YIMHMYJRRJSSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O3/c1-21(2,12-15-3-5-17(22)6-4-15)24-19(26)11-18-20(27)23-8-9-25(18)13-16-7-10-28-14-16/h3-7,10,14,18H,8-9,11-13H2,1-2H3,(H,23,27)(H,24,26).
What are the key properties of N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]acetamide?
N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]acetamide has a molecular weight of 387.46 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]acetamide is sourced from PubChem (CID 56884528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).