N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide

C18H24FN3O2S — CID 55959421

IUPACN-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESO=C(CCN1CCSC1=O)NC1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C18H24FN3O2S/c19-15-3-1-14(2-4-15)13-21-8-5-16(6-9-21)20-17(23)7-10-22-11-12-25-18(22)24/h1-4,16H,5-13H2,(H,20,23)
InChIKeyGICQAKJYBOTBBW-UHFFFAOYSA-N
MW365.47 g/mol
LogP2.47
Rot. Bonds6

About N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide

N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (PubChem CID 55959421) has the molecular formula C18H24FN3O2S and a molecular weight of 365.47 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
PubChem CID55959421
Molecular FormulaC18H24FN3O2S
Molecular Weight365.47 g/mol
Exact Mass365.16
IUPAC NameN-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESO=C(CCN1CCSC1=O)NC1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C18H24FN3O2S/c19-15-3-1-14(2-4-15)13-21-8-5-16(6-9-21)20-17(23)7-10-22-11-12-25-18(22)24/h1-4,16H,5-13H2,(H,20,23)
InChIKeyGICQAKJYBOTBBW-UHFFFAOYSA-N
XLogP2.47
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 18121098
N-(1-benzylpyrrolidin-3-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 18156427
3-(2-oxo-1,3-thiazolidin-3-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide
CID 55946390
N-cyclohexyl-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 60681979
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 55428186
2,2,2-trifluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide
CID 126711751
3-[(4-bromophenyl)sulfonylamino]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanamide
CID 55960822
N-(3,5-difluorophenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 18102547
3-(2-ethoxyphenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanamide
CID 55960312
2,2-difluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanamide
CID 158389196
1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(4-methylcyclohexyl)urea
CID 87034548
2-(3,4-dimethoxyphenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide
CID 55959801

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (CID 55959421) is N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is O=C(CCN1CCSC1=O)NC1CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The InChIKey is GICQAKJYBOTBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O2S/c19-15-3-1-14(2-4-15)13-21-8-5-16(6-9-21)20-17(23)7-10-22-11-12-25-18(22)24/h1-4,16H,5-13H2,(H,20,23).
What are the key properties of N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide has a molecular weight of 365.47 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is sourced from PubChem (CID 55959421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).