2-[4-[2-[4-(4-fluoro-2-methylbenzoyl)piperidin-1-yl]ethyl]cyclohexyl]acetamide

C23H33FN2O2 — CID 66627629

IUPAC2-[4-[2-[4-(4-fluoro-2-methylbenzoyl)piperidin-1-yl]ethyl]cyclohexyl]acetamide
SMILESCc1cc(F)ccc1C(=O)C1CCN(CCC2CCC(CC(N)=O)CC2)CC1
InChIInChI=1S/C23H33FN2O2/c1-16-14-20(24)6-7-21(16)23(28)19-9-12-26(13-10-19)11-8-17-2-4-18(5-3-17)15-22(25)27/h6-7,14,17-19H,2-5,8-13,15H2,1H3,(H2,25,27)
InChIKeyHHPRQULSKGCJPJ-UHFFFAOYSA-N
MW388.53 g/mol
LogP4.10
Rot. Bonds7

About 2-[4-[2-[4-(4-fluoro-2-methylbenzoyl)piperidin-1-yl]ethyl]cyclohexyl]acetamide

2-[4-[2-[4-(4-fluoro-2-methylbenzoyl)piperidin-1-yl]ethyl]cyclohexyl]acetamide (PubChem CID 66627629) has the molecular formula C23H33FN2O2 and a molecular weight of 388.53 g/mol. Its IUPAC name is 2-[4-[2-[4-(4-fluoro-2-methylbenzoyl)piperidin-1-yl]ethyl]cyclohexyl]acetamide.

Molecular Properties

Compound Name2-[4-[2-[4-(4-fluoro-2-methylbenzoyl)piperidin-1-yl]ethyl]cyclohexyl]acetamide
PubChem CID66627629
Molecular FormulaC23H33FN2O2
Molecular Weight388.53 g/mol
Exact Mass388.25
IUPAC Name2-[4-[2-[4-(4-fluoro-2-methylbenzoyl)piperidin-1-yl]ethyl]cyclohexyl]acetamide
SMILESCc1cc(F)ccc1C(=O)C1CCN(CCC2CCC(CC(N)=O)CC2)CC1
InChIInChI=1S/C23H33FN2O2/c1-16-14-20(24)6-7-21(16)23(28)19-9-12-26(13-10-19)11-8-17-2-4-18(5-3-17)15-22(25)27/h6-7,14,17-19H,2-5,8-13,15H2,1H3,(H2,25,27)
InChIKeyHHPRQULSKGCJPJ-UHFFFAOYSA-N
XLogP4.10
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[2-[4-(2,5-dichlorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]acetamide
CID 66627833
N-[4-[2-[4-(2-chloro-4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]cyclopropanecarboxamide
CID 25018367
(4-fluorophenyl)-[1-[2-[(1R,3S)-3-methylcyclopentyl]ethyl]piperidin-4-yl]methanone;methane
CID 158052051
(4-fluoro-2-methylphenyl)-(4-methylcyclohexyl)methanone
CID 62790629
N-[4-[2-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]oxolane-3-carboxamide
CID 25018369
3-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]propanoic acid
CID 136526221
2-(4-ethoxycyclohexyl)-N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]acetamide
CID 25184916
N-[4-[2-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]-5-methylsulfonylthiophene-2-carboxamide
CID 66627354
(4-fluoro-2-methylphenyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone
CID 171945077
tert-butyl 3-(4-fluoro-2-methylbenzoyl)pyrrolidine-1-carboxylate
CID 107091958
(3-ethylcyclohexyl)-(4-fluoro-2-methylphenyl)methanone
CID 65401304
4-[3-[4-(2,5-difluorobenzoyl)piperidin-1-yl]propanoylamino]benzamide
CID 55841465

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[4-(4-fluoro-2-methylbenzoyl)piperidin-1-yl]ethyl]cyclohexyl]acetamide?
The IUPAC name of 2-[4-[2-[4-(4-fluoro-2-methylbenzoyl)piperidin-1-yl]ethyl]cyclohexyl]acetamide (CID 66627629) is 2-[4-[2-[4-(4-fluoro-2-methylbenzoyl)piperidin-1-yl]ethyl]cyclohexyl]acetamide.
What is the SMILES notation for 2-[4-[2-[4-(4-fluoro-2-methylbenzoyl)piperidin-1-yl]ethyl]cyclohexyl]acetamide?
The canonical SMILES for 2-[4-[2-[4-(4-fluoro-2-methylbenzoyl)piperidin-1-yl]ethyl]cyclohexyl]acetamide is Cc1cc(F)ccc1C(=O)C1CCN(CCC2CCC(CC(N)=O)CC2)CC1.
What is the InChIKey of 2-[4-[2-[4-(4-fluoro-2-methylbenzoyl)piperidin-1-yl]ethyl]cyclohexyl]acetamide?
The InChIKey is HHPRQULSKGCJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33FN2O2/c1-16-14-20(24)6-7-21(16)23(28)19-9-12-26(13-10-19)11-8-17-2-4-18(5-3-17)15-22(25)27/h6-7,14,17-19H,2-5,8-13,15H2,1H3,(H2,25,27).
What are the key properties of 2-[4-[2-[4-(4-fluoro-2-methylbenzoyl)piperidin-1-yl]ethyl]cyclohexyl]acetamide?
2-[4-[2-[4-(4-fluoro-2-methylbenzoyl)piperidin-1-yl]ethyl]cyclohexyl]acetamide has a molecular weight of 388.53 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[4-(4-fluoro-2-methylbenzoyl)piperidin-1-yl]ethyl]cyclohexyl]acetamide is sourced from PubChem (CID 66627629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).