(4-cyclopentylsulfonylphenyl)-[4-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone

C24H28FNO4S — CID 99805654

IUPAC(4-cyclopentylsulfonylphenyl)-[4-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(S(=O)(=O)C2CCCC2)cc1)N1CCC([C@@H](O)c2ccc(F)cc2)CC1
InChIInChI=1S/C24H28FNO4S/c25-20-9-5-17(6-10-20)23(27)18-13-15-26(16-14-18)24(28)19-7-11-22(12-8-19)31(29,30)21-3-1-2-4-21/h5-12,18,21,23,27H,1-4,13-16H2/t23-/m0/s1
InChIKeyFTSIRHMWYJAQOH-QHCPKHFHSA-N
MW445.56 g/mol
LogP4.13
Rot. Bonds5

About (4-cyclopentylsulfonylphenyl)-[4-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone

(4-cyclopentylsulfonylphenyl)-[4-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone (PubChem CID 99805654) has the molecular formula C24H28FNO4S and a molecular weight of 445.56 g/mol. Its IUPAC name is (4-cyclopentylsulfonylphenyl)-[4-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-cyclopentylsulfonylphenyl)-[4-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone
PubChem CID99805654
Molecular FormulaC24H28FNO4S
Molecular Weight445.56 g/mol
Exact Mass445.17
IUPAC Name(4-cyclopentylsulfonylphenyl)-[4-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(S(=O)(=O)C2CCCC2)cc1)N1CCC([C@@H](O)c2ccc(F)cc2)CC1
InChIInChI=1S/C24H28FNO4S/c25-20-9-5-17(6-10-20)23(27)18-13-15-26(16-14-18)24(28)19-7-11-22(12-8-19)31(29,30)21-3-1-2-4-21/h5-12,18,21,23,27H,1-4,13-16H2/t23-/m0/s1
InChIKeyFTSIRHMWYJAQOH-QHCPKHFHSA-N
XLogP4.13
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.56
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-cyclopentylsulfonylphenyl)-[4-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

(4-fluorophenyl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone
CID 90589559
[4-(aminomethyl)phenyl]-[4-[(S)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone
CID 125154336
(4-cyclopentylsulfonylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119561781
7-bicyclo[4.1.0]heptanyl-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone
CID 111520537
(2-chloro-4-pyridinyl)-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone
CID 56803648
(3R)-1-(4-cyclopentylsulfonylbenzoyl)pyrrolidine-3-carboxylic acid
CID 125134764
(4-chlorophenyl)-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]methanone
CID 67168197
(4-cyclopentylsulfonylphenyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;hydrochloride
CID 119637060
[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(1H-indol-6-yl)methanone
CID 90589712
(5-fluoro-2-hydroxyphenyl)-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone
CID 111664774
N-(dicyclopropylmethyl)-4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carboxamide
CID 111109553
4-[(4-fluorophenyl)-hydroxymethyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 111109261

Frequently Asked Questions

What is the IUPAC name of (4-cyclopentylsulfonylphenyl)-[4-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone?
The IUPAC name of (4-cyclopentylsulfonylphenyl)-[4-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone (CID 99805654) is (4-cyclopentylsulfonylphenyl)-[4-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-cyclopentylsulfonylphenyl)-[4-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone?
The canonical SMILES for (4-cyclopentylsulfonylphenyl)-[4-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone is O=C(c1ccc(S(=O)(=O)C2CCCC2)cc1)N1CCC([C@@H](O)c2ccc(F)cc2)CC1.
What is the InChIKey of (4-cyclopentylsulfonylphenyl)-[4-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone?
The InChIKey is FTSIRHMWYJAQOH-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H28FNO4S/c25-20-9-5-17(6-10-20)23(27)18-13-15-26(16-14-18)24(28)19-7-11-22(12-8-19)31(29,30)21-3-1-2-4-21/h5-12,18,21,23,27H,1-4,13-16H2/t23-/m0/s1.
What are the key properties of (4-cyclopentylsulfonylphenyl)-[4-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone?
(4-cyclopentylsulfonylphenyl)-[4-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone has a molecular weight of 445.56 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopentylsulfonylphenyl)-[4-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 99805654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).