3-[[(2S)-1-(2-chlorophenothiazine-10-carbonyl)piperidine-2-carbonyl]amino]-5-fluoro-4-oxopentanoic acid

C24H23ClFN3O5S — CID 59769188

IUPAC3-[[(2S)-1-(2-chlorophenothiazine-10-carbonyl)piperidine-2-carbonyl]amino]-5-fluoro-4-oxopentanoic acid
SMILESO=C(O)CC(NC(=O)[C@@H]1CCCCN1C(=O)N1c2ccccc2Sc2ccc(Cl)cc21)C(=O)CF
InChIInChI=1S/C24H23ClFN3O5S/c25-14-8-9-21-18(11-14)29(16-5-1-2-7-20(16)35-21)24(34)28-10-4-3-6-17(28)23(33)27-15(12-22(31)32)19(30)13-26/h1-2,5,7-9,11,15,17H,3-4,6,10,12-13H2,(H,27,33)(H,31,32)/t15?,17-/m0/s1
InChIKeyIVLZXSRUQWUMDM-LWKPJOBUSA-N
MW519.98 g/mol
LogP4.42
Rot. Bonds6

About 3-[[(2S)-1-(2-chlorophenothiazine-10-carbonyl)piperidine-2-carbonyl]amino]-5-fluoro-4-oxopentanoic acid

3-[[(2S)-1-(2-chlorophenothiazine-10-carbonyl)piperidine-2-carbonyl]amino]-5-fluoro-4-oxopentanoic acid (PubChem CID 59769188) has the molecular formula C24H23ClFN3O5S and a molecular weight of 519.98 g/mol. Its IUPAC name is 3-[[(2S)-1-(2-chlorophenothiazine-10-carbonyl)piperidine-2-carbonyl]amino]-5-fluoro-4-oxopentanoic acid.

Molecular Properties

Compound Name3-[[(2S)-1-(2-chlorophenothiazine-10-carbonyl)piperidine-2-carbonyl]amino]-5-fluoro-4-oxopentanoic acid
PubChem CID59769188
Molecular FormulaC24H23ClFN3O5S
Molecular Weight519.98 g/mol
Exact Mass519.10
IUPAC Name3-[[(2S)-1-(2-chlorophenothiazine-10-carbonyl)piperidine-2-carbonyl]amino]-5-fluoro-4-oxopentanoic acid
SMILESO=C(O)CC(NC(=O)[C@@H]1CCCCN1C(=O)N1c2ccccc2Sc2ccc(Cl)cc21)C(=O)CF
InChIInChI=1S/C24H23ClFN3O5S/c25-14-8-9-21-18(11-14)29(16-5-1-2-7-20(16)35-21)24(34)28-10-4-3-6-17(28)23(33)27-15(12-22(31)32)19(30)13-26/h1-2,5,7-9,11,15,17H,3-4,6,10,12-13H2,(H,27,33)(H,31,32)/t15?,17-/m0/s1
InChIKeyIVLZXSRUQWUMDM-LWKPJOBUSA-N
XLogP4.42
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.98
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[(2S)-1-(2-chlorophenothiazine-10-carbonyl)piperidine-2-carbonyl]amino]-5-fluoro-4-oxopentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[1-(2-chloro-11,12-dihydro-10H-benzo[b][1]benzothiocine-12-carbonyl)piperidine-2-carbonyl]amino]-5-fluoro-4-oxopentanoic acid
CID 142124989
(2S)-N-[(3S)-5-fluoro-1-[methyl-[2-(methylamino)ethyl]amino]-1,4-dioxopentan-3-yl]-1-(phenothiazine-10-carbonyl)piperidine-2-carboxamide
CID 90703002
3-[[1-[(3,4-dichlorophenyl)methoxycarbonyl]piperidine-2-carbonyl]amino]-5-fluoro-4-oxopentanoic acid
CID 23577020
(3S)-3-[[(2S)-1-[(3,4-dichlorophenyl)methoxycarbonyl]piperidine-2-carbonyl]amino]-5-fluoro-4-oxopentanoic acid
CID 90791601
3-[[(E)-1-(2-chlorophenothiazine-10-carbonyl)oxyhex-2-en-2-yl]amino]-5-fluoro-4-oxopentanoic acid
CID 142088442
methyl 1-(phenothiazine-10-carbonyl)piperidine-2-carboxylate
CID 23521306
5-fluoro-3-[[(2S)-1-(isoquinoline-1-carbonyl)piperidine-2-carbonyl]amino]-4-oxopentanoic acid
CID 10201924
3-[[2-(3-chlorophenothiazine-10-carbonyl)oxy-3-methylbutanoyl]amino]-5-fluoro-4-oxopentanoic acid
CID 20620047
(3S)-5-fluoro-4-oxo-3-[[(2S)-1-[(2-phenoxyphenyl)methoxycarbonyl]piperidine-2-carbonyl]amino]pentanoic acid
CID 91038950
3-[[(4S)-6,11-dioxo-1,2,3,4-tetrahydropyridazino[1,2-b]phthalazine-4-carbonyl]amino]-5-fluoro-4-oxopentanoic acid
CID 59553505
1-(2-chlorophenothiazin-10-yl)-2-piperidin-1-ylethanone;hydrochloride
CID 2861917
2-(2-chlorophenyl)ethyl formate;5-fluoro-3-[(1-methylpiperidine-2-carbonyl)amino]-4-oxopentanoic acid
CID 142098623

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-1-(2-chlorophenothiazine-10-carbonyl)piperidine-2-carbonyl]amino]-5-fluoro-4-oxopentanoic acid?
The IUPAC name of 3-[[(2S)-1-(2-chlorophenothiazine-10-carbonyl)piperidine-2-carbonyl]amino]-5-fluoro-4-oxopentanoic acid (CID 59769188) is 3-[[(2S)-1-(2-chlorophenothiazine-10-carbonyl)piperidine-2-carbonyl]amino]-5-fluoro-4-oxopentanoic acid.
What is the SMILES notation for 3-[[(2S)-1-(2-chlorophenothiazine-10-carbonyl)piperidine-2-carbonyl]amino]-5-fluoro-4-oxopentanoic acid?
The canonical SMILES for 3-[[(2S)-1-(2-chlorophenothiazine-10-carbonyl)piperidine-2-carbonyl]amino]-5-fluoro-4-oxopentanoic acid is O=C(O)CC(NC(=O)[C@@H]1CCCCN1C(=O)N1c2ccccc2Sc2ccc(Cl)cc21)C(=O)CF.
What is the InChIKey of 3-[[(2S)-1-(2-chlorophenothiazine-10-carbonyl)piperidine-2-carbonyl]amino]-5-fluoro-4-oxopentanoic acid?
The InChIKey is IVLZXSRUQWUMDM-LWKPJOBUSA-N. The full InChI is InChI=1S/C24H23ClFN3O5S/c25-14-8-9-21-18(11-14)29(16-5-1-2-7-20(16)35-21)24(34)28-10-4-3-6-17(28)23(33)27-15(12-22(31)32)19(30)13-26/h1-2,5,7-9,11,15,17H,3-4,6,10,12-13H2,(H,27,33)(H,31,32)/t15?,17-/m0/s1.
What are the key properties of 3-[[(2S)-1-(2-chlorophenothiazine-10-carbonyl)piperidine-2-carbonyl]amino]-5-fluoro-4-oxopentanoic acid?
3-[[(2S)-1-(2-chlorophenothiazine-10-carbonyl)piperidine-2-carbonyl]amino]-5-fluoro-4-oxopentanoic acid has a molecular weight of 519.98 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-1-(2-chlorophenothiazine-10-carbonyl)piperidine-2-carbonyl]amino]-5-fluoro-4-oxopentanoic acid is sourced from PubChem (CID 59769188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).