N-(2-methylcyclohexyl)-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide

C21H28F3N3O2 — CID 46407107

IUPACN-(2-methylcyclohexyl)-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide
SMILESCC1CCCCC1NC(=O)CN1CCN(C(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C21H28F3N3O2/c1-15-6-2-5-9-18(15)25-19(28)14-26-10-12-27(13-11-26)20(29)16-7-3-4-8-17(16)21(22,23)24/h3-4,7-8,15,18H,2,5-6,9-14H2,1H3,(H,25,28)
InChIKeyYLJIGBSROSPWTH-UHFFFAOYSA-N
MW411.47 g/mol
LogP3.16
Rot. Bonds4

About N-(2-methylcyclohexyl)-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide

N-(2-methylcyclohexyl)-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide (PubChem CID 46407107) has the molecular formula C21H28F3N3O2 and a molecular weight of 411.47 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide
PubChem CID46407107
Molecular FormulaC21H28F3N3O2
Molecular Weight411.47 g/mol
Exact Mass411.21
IUPAC NameN-(2-methylcyclohexyl)-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide
SMILESCC1CCCCC1NC(=O)CN1CCN(C(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C21H28F3N3O2/c1-15-6-2-5-9-18(15)25-19(28)14-26-10-12-27(13-11-26)20(29)16-7-3-4-8-17(16)21(22,23)24/h3-4,7-8,15,18H,2,5-6,9-14H2,1H3,(H,25,28)
InChIKeyYLJIGBSROSPWTH-UHFFFAOYSA-N
XLogP3.16
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-benzylpiperazin-1-yl)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 8902763
2-[4-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]piperazin-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 30736768
N-(2-methylcyclohexyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 46535941
[2-[[(1S,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 2-(trifluoromethyl)benzoate
CID 7838244
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 8528448
4-(2-anilino-2-oxoethyl)-N-(2-methylcyclohexyl)piperazine-1-carboxamide
CID 51330583
N-[(1R,2S)-2-methylcyclohexyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 1439119
2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 8719210
N-[1-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]piperidin-4-yl]-2-phenylacetamide
CID 7411819
(4-methylazepan-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 84581077
2-(4-benzylsulfonylpiperazin-1-yl)-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 9443779
N-(4-chlorophenyl)-4-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]piperazine-1-carboxamide
CID 75375800

Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2-methylcyclohexyl)-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide (CID 46407107) is N-(2-methylcyclohexyl)-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-methylcyclohexyl)-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-methylcyclohexyl)-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide is CC1CCCCC1NC(=O)CN1CCN(C(=O)c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of N-(2-methylcyclohexyl)-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide?
The InChIKey is YLJIGBSROSPWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28F3N3O2/c1-15-6-2-5-9-18(15)25-19(28)14-26-10-12-27(13-11-26)20(29)16-7-3-4-8-17(16)21(22,23)24/h3-4,7-8,15,18H,2,5-6,9-14H2,1H3,(H,25,28).
What are the key properties of N-(2-methylcyclohexyl)-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide?
N-(2-methylcyclohexyl)-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide has a molecular weight of 411.47 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 46407107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).