N-cyclohexyl-2-[1-[(3,4-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide

C20H27F2N3O2 — CID 24818914

IUPACN-cyclohexyl-2-[1-[(3,4-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide
SMILESCN(C(=O)CC1C(=O)NCCN1Cc1ccc(F)c(F)c1)C1CCCCC1
InChIInChI=1S/C20H27F2N3O2/c1-24(15-5-3-2-4-6-15)19(26)12-18-20(27)23-9-10-25(18)13-14-7-8-16(21)17(22)11-14/h7-8,11,15,18H,2-6,9-10,12-13H2,1H3,(H,23,27)
InChIKeyAHLYIJQKKKJIQW-UHFFFAOYSA-N
MW379.45 g/mol
LogP2.45
Rot. Bonds5

About N-cyclohexyl-2-[1-[(3,4-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide

N-cyclohexyl-2-[1-[(3,4-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide (PubChem CID 24818914) has the molecular formula C20H27F2N3O2 and a molecular weight of 379.45 g/mol. Its IUPAC name is N-cyclohexyl-2-[1-[(3,4-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[1-[(3,4-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide
PubChem CID24818914
Molecular FormulaC20H27F2N3O2
Molecular Weight379.45 g/mol
Exact Mass379.21
IUPAC NameN-cyclohexyl-2-[1-[(3,4-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide
SMILESCN(C(=O)CC1C(=O)NCCN1Cc1ccc(F)c(F)c1)C1CCCCC1
InChIInChI=1S/C20H27F2N3O2/c1-24(15-5-3-2-4-6-15)19(26)12-18-20(27)23-9-10-25(18)13-14-7-8-16(21)17(22)11-14/h7-8,11,15,18H,2-6,9-10,12-13H2,1H3,(H,23,27)
InChIKeyAHLYIJQKKKJIQW-UHFFFAOYSA-N
XLogP2.45
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[1-[(3,4-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide?
The IUPAC name of N-cyclohexyl-2-[1-[(3,4-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide (CID 24818914) is N-cyclohexyl-2-[1-[(3,4-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide.
What is the SMILES notation for N-cyclohexyl-2-[1-[(3,4-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide?
The canonical SMILES for N-cyclohexyl-2-[1-[(3,4-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide is CN(C(=O)CC1C(=O)NCCN1Cc1ccc(F)c(F)c1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[1-[(3,4-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide?
The InChIKey is AHLYIJQKKKJIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F2N3O2/c1-24(15-5-3-2-4-6-15)19(26)12-18-20(27)23-9-10-25(18)13-14-7-8-16(21)17(22)11-14/h7-8,11,15,18H,2-6,9-10,12-13H2,1H3,(H,23,27).
What are the key properties of N-cyclohexyl-2-[1-[(3,4-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide?
N-cyclohexyl-2-[1-[(3,4-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide has a molecular weight of 379.45 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[1-[(3,4-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide is sourced from PubChem (CID 24818914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).