[4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]-(3-fluoro-5-methylphenyl)methanone

C16H21FN2O3S — CID 128716146

IUPAC[4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]-(3-fluoro-5-methylphenyl)methanone
SMILESCc1cc(F)cc(C(=O)N2CCC(N3CCCS3(=O)=O)CC2)c1
InChIInChI=1S/C16H21FN2O3S/c1-12-9-13(11-14(17)10-12)16(20)18-6-3-15(4-7-18)19-5-2-8-23(19,21)22/h9-11,15H,2-8H2,1H3
InChIKeyDNWCJFVGCGLPQO-UHFFFAOYSA-N
MW340.42 g/mol
LogP1.77
Rot. Bonds2

About [4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]-(3-fluoro-5-methylphenyl)methanone

[4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]-(3-fluoro-5-methylphenyl)methanone (PubChem CID 128716146) has the molecular formula C16H21FN2O3S and a molecular weight of 340.42 g/mol. Its IUPAC name is [4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]-(3-fluoro-5-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]-(3-fluoro-5-methylphenyl)methanone
PubChem CID128716146
Molecular FormulaC16H21FN2O3S
Molecular Weight340.42 g/mol
Exact Mass340.13
IUPAC Name[4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]-(3-fluoro-5-methylphenyl)methanone
SMILESCc1cc(F)cc(C(=O)N2CCC(N3CCCS3(=O)=O)CC2)c1
InChIInChI=1S/C16H21FN2O3S/c1-12-9-13(11-14(17)10-12)16(20)18-6-3-15(4-7-18)19-5-2-8-23(19,21)22/h9-11,15H,2-8H2,1H3
InChIKeyDNWCJFVGCGLPQO-UHFFFAOYSA-N
XLogP1.77
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-fluoro-5-methylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119559740
1-(3-fluoro-5-methylbenzoyl)piperidine-4-carboxamide
CID 119138735
[4-(bromomethyl)piperidin-1-yl]-(3-fluoro-5-methylphenyl)methanone
CID 113396040
(3-fluoro-5-methylphenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103901004
(3-chloro-4-methylpiperidin-1-yl)-(3-fluoro-5-methylphenyl)methanone
CID 102961602
(4-bromo-3-methylpiperidin-1-yl)-(3-fluoro-5-methylphenyl)methanone
CID 114683510
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-(3-fluoro-5-methylphenyl)methanone
CID 124576168
(3-fluoro-5-methylphenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119538422
[3-(aminomethyl)piperidin-1-yl]-(3-fluoro-5-methylphenyl)methanone;hydrochloride
CID 119464798
azocan-1-yl-(3,5-difluorophenyl)methanone
CID 86976941
(3,5-dimethylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 21025498
[4-(2,6-difluorobenzoyl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone
CID 33014024

Frequently Asked Questions

What is the IUPAC name of [4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]-(3-fluoro-5-methylphenyl)methanone?
The IUPAC name of [4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]-(3-fluoro-5-methylphenyl)methanone (CID 128716146) is [4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]-(3-fluoro-5-methylphenyl)methanone.
What is the SMILES notation for [4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]-(3-fluoro-5-methylphenyl)methanone?
The canonical SMILES for [4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]-(3-fluoro-5-methylphenyl)methanone is Cc1cc(F)cc(C(=O)N2CCC(N3CCCS3(=O)=O)CC2)c1.
What is the InChIKey of [4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]-(3-fluoro-5-methylphenyl)methanone?
The InChIKey is DNWCJFVGCGLPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O3S/c1-12-9-13(11-14(17)10-12)16(20)18-6-3-15(4-7-18)19-5-2-8-23(19,21)22/h9-11,15H,2-8H2,1H3.
What are the key properties of [4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]-(3-fluoro-5-methylphenyl)methanone?
[4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]-(3-fluoro-5-methylphenyl)methanone has a molecular weight of 340.42 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]-(3-fluoro-5-methylphenyl)methanone is sourced from PubChem (CID 128716146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).