3-fluoro-N-[4-[2-[4-(3-methylsulfonylphenyl)piperazin-1-yl]ethyl]cyclohexyl]propanamide

C22H34FN3O3S — CID 174589477

IUPAC3-fluoro-N-[4-[2-[4-(3-methylsulfonylphenyl)piperazin-1-yl]ethyl]cyclohexyl]propanamide
SMILESCS(=O)(=O)c1cccc(N2CCN(CCC3CCC(NC(=O)CCF)CC3)CC2)c1
InChIInChI=1S/C22H34FN3O3S/c1-30(28,29)21-4-2-3-20(17-21)26-15-13-25(14-16-26)12-10-18-5-7-19(8-6-18)24-22(27)9-11-23/h2-4,17-19H,5-16H2,1H3,(H,24,27)
InChIKeyYRTVBAAZDRBUCS-UHFFFAOYSA-N
MW439.60 g/mol
LogP2.64
Rot. Bonds8

About 3-fluoro-N-[4-[2-[4-(3-methylsulfonylphenyl)piperazin-1-yl]ethyl]cyclohexyl]propanamide

3-fluoro-N-[4-[2-[4-(3-methylsulfonylphenyl)piperazin-1-yl]ethyl]cyclohexyl]propanamide (PubChem CID 174589477) has the molecular formula C22H34FN3O3S and a molecular weight of 439.60 g/mol. Its IUPAC name is 3-fluoro-N-[4-[2-[4-(3-methylsulfonylphenyl)piperazin-1-yl]ethyl]cyclohexyl]propanamide.

Molecular Properties

Compound Name3-fluoro-N-[4-[2-[4-(3-methylsulfonylphenyl)piperazin-1-yl]ethyl]cyclohexyl]propanamide
PubChem CID174589477
Molecular FormulaC22H34FN3O3S
Molecular Weight439.60 g/mol
Exact Mass439.23
IUPAC Name3-fluoro-N-[4-[2-[4-(3-methylsulfonylphenyl)piperazin-1-yl]ethyl]cyclohexyl]propanamide
SMILESCS(=O)(=O)c1cccc(N2CCN(CCC3CCC(NC(=O)CCF)CC3)CC2)c1
InChIInChI=1S/C22H34FN3O3S/c1-30(28,29)21-4-2-3-20(17-21)26-15-13-25(14-16-26)12-10-18-5-7-19(8-6-18)24-22(27)9-11-23/h2-4,17-19H,5-16H2,1H3,(H,24,27)
InChIKeyYRTVBAAZDRBUCS-UHFFFAOYSA-N
XLogP2.64
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.60
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[4-[2-[4-(3-propanoylphenyl)piperazin-1-yl]ethyl]cyclohexyl]butanamide
CID 70956348
N'-hydrazinylidene-N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]butanediamide
CID 118486309
2-ethoxy-N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]acetamide;hydrochloride
CID 161309199
2-cyano-N-[4-[2-[4-(3-hydroxyphenyl)piperazin-1-yl]ethyl]cyclohexyl]acetamide;hydrochloride
CID 118481083
N-(4-hydroxycyclohexyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 72879612
2-oxo-N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]butanamide;hydrochloride
CID 90323221
2-cyano-2-methyl-N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]propanamide
CID 24781656
N,2-bis[4-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]cyclohexyl]cyclopentene-1-carboxamide
CID 140543052
1-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]ethanone
CID 157343351
1-(3-methylsulfonylphenyl)-3-propylpyrrolidine
CID 10445709
(E)-3-(3-fluorophenyl)-N-[4-[2-(7-methylsulfonyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]cyclohexyl]prop-2-enamide
CID 11294968
N-cyclopropyl-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide
CID 34207696

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[4-[2-[4-(3-methylsulfonylphenyl)piperazin-1-yl]ethyl]cyclohexyl]propanamide?
The IUPAC name of 3-fluoro-N-[4-[2-[4-(3-methylsulfonylphenyl)piperazin-1-yl]ethyl]cyclohexyl]propanamide (CID 174589477) is 3-fluoro-N-[4-[2-[4-(3-methylsulfonylphenyl)piperazin-1-yl]ethyl]cyclohexyl]propanamide.
What is the SMILES notation for 3-fluoro-N-[4-[2-[4-(3-methylsulfonylphenyl)piperazin-1-yl]ethyl]cyclohexyl]propanamide?
The canonical SMILES for 3-fluoro-N-[4-[2-[4-(3-methylsulfonylphenyl)piperazin-1-yl]ethyl]cyclohexyl]propanamide is CS(=O)(=O)c1cccc(N2CCN(CCC3CCC(NC(=O)CCF)CC3)CC2)c1.
What is the InChIKey of 3-fluoro-N-[4-[2-[4-(3-methylsulfonylphenyl)piperazin-1-yl]ethyl]cyclohexyl]propanamide?
The InChIKey is YRTVBAAZDRBUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34FN3O3S/c1-30(28,29)21-4-2-3-20(17-21)26-15-13-25(14-16-26)12-10-18-5-7-19(8-6-18)24-22(27)9-11-23/h2-4,17-19H,5-16H2,1H3,(H,24,27).
What are the key properties of 3-fluoro-N-[4-[2-[4-(3-methylsulfonylphenyl)piperazin-1-yl]ethyl]cyclohexyl]propanamide?
3-fluoro-N-[4-[2-[4-(3-methylsulfonylphenyl)piperazin-1-yl]ethyl]cyclohexyl]propanamide has a molecular weight of 439.60 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[4-[2-[4-(3-methylsulfonylphenyl)piperazin-1-yl]ethyl]cyclohexyl]propanamide is sourced from PubChem (CID 174589477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).