N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(3-oxo-2-propan-2-ylpiperazin-1-yl)acetamide

C22H32FN3O2 — CID 56539756

IUPACN-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(3-oxo-2-propan-2-ylpiperazin-1-yl)acetamide
SMILESCC(C)C1C(=O)NCCN1CC(=O)N(Cc1ccc(F)cc1)C1CCCCC1
InChIInChI=1S/C22H32FN3O2/c1-16(2)21-22(28)24-12-13-25(21)15-20(27)26(19-6-4-3-5-7-19)14-17-8-10-18(23)11-9-17/h8-11,16,19,21H,3-7,12-15H2,1-2H3,(H,24,28)
InChIKeyIWFNVONMUREZMB-UHFFFAOYSA-N
MW389.52 g/mol
LogP2.94
Rot. Bonds6

About N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(3-oxo-2-propan-2-ylpiperazin-1-yl)acetamide

N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(3-oxo-2-propan-2-ylpiperazin-1-yl)acetamide (PubChem CID 56539756) has the molecular formula C22H32FN3O2 and a molecular weight of 389.52 g/mol. Its IUPAC name is N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(3-oxo-2-propan-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(3-oxo-2-propan-2-ylpiperazin-1-yl)acetamide
PubChem CID56539756
Molecular FormulaC22H32FN3O2
Molecular Weight389.52 g/mol
Exact Mass389.25
IUPAC NameN-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(3-oxo-2-propan-2-ylpiperazin-1-yl)acetamide
SMILESCC(C)C1C(=O)NCCN1CC(=O)N(Cc1ccc(F)cc1)C1CCCCC1
InChIInChI=1S/C22H32FN3O2/c1-16(2)21-22(28)24-12-13-25(21)15-20(27)26(19-6-4-3-5-7-19)14-17-8-10-18(23)11-9-17/h8-11,16,19,21H,3-7,12-15H2,1-2H3,(H,24,28)
InChIKeyIWFNVONMUREZMB-UHFFFAOYSA-N
XLogP2.94
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(3-oxo-2-propan-2-ylpiperazin-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 55471178
1-[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119909049
N-cyclohexyl-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 7568278
2-[(2S)-1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 25452555
N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(methylamino)acetamide
CID 119688726
N-cyclopropyl-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 78813598
N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 24520357
N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 134032079
2-[[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]amino]-N-methylacetamide
CID 8772654
N-[(4-fluorophenyl)methyl]-N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetamide
CID 45180905
[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl] 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate
CID 46606002
N-cyclohexyl-2-[2-(4-fluorophenyl)azetidin-1-yl]-N-methylacetamide
CID 91837284

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(3-oxo-2-propan-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(3-oxo-2-propan-2-ylpiperazin-1-yl)acetamide (CID 56539756) is N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(3-oxo-2-propan-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(3-oxo-2-propan-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(3-oxo-2-propan-2-ylpiperazin-1-yl)acetamide is CC(C)C1C(=O)NCCN1CC(=O)N(Cc1ccc(F)cc1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(3-oxo-2-propan-2-ylpiperazin-1-yl)acetamide?
The InChIKey is IWFNVONMUREZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32FN3O2/c1-16(2)21-22(28)24-12-13-25(21)15-20(27)26(19-6-4-3-5-7-19)14-17-8-10-18(23)11-9-17/h8-11,16,19,21H,3-7,12-15H2,1-2H3,(H,24,28).
What are the key properties of N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(3-oxo-2-propan-2-ylpiperazin-1-yl)acetamide?
N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(3-oxo-2-propan-2-ylpiperazin-1-yl)acetamide has a molecular weight of 389.52 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(3-oxo-2-propan-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 56539756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).