1-[(4-fluorophenyl)carbamothioyl]-4-piperidin-1-ylpiperidine-4-carboxamide

C18H25FN4OS — CID 1323207

IUPAC1-[(4-fluorophenyl)carbamothioyl]-4-piperidin-1-ylpiperidine-4-carboxamide
SMILESNC(=O)C1(N2CCCCC2)CCN(C(=S)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C18H25FN4OS/c19-14-4-6-15(7-5-14)21-17(25)22-12-8-18(9-13-22,16(20)24)23-10-2-1-3-11-23/h4-7H,1-3,8-13H2,(H2,20,24)(H,21,25)
InChIKeyLOERDRAJGKDDBC-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.33
Rot. Bonds3

About 1-[(4-fluorophenyl)carbamothioyl]-4-piperidin-1-ylpiperidine-4-carboxamide

1-[(4-fluorophenyl)carbamothioyl]-4-piperidin-1-ylpiperidine-4-carboxamide (PubChem CID 1323207) has the molecular formula C18H25FN4OS and a molecular weight of 364.49 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)carbamothioyl]-4-piperidin-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)carbamothioyl]-4-piperidin-1-ylpiperidine-4-carboxamide
PubChem CID1323207
Molecular FormulaC18H25FN4OS
Molecular Weight364.49 g/mol
Exact Mass364.17
IUPAC Name1-[(4-fluorophenyl)carbamothioyl]-4-piperidin-1-ylpiperidine-4-carboxamide
SMILESNC(=O)C1(N2CCCCC2)CCN(C(=S)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C18H25FN4OS/c19-14-4-6-15(7-5-14)21-17(25)22-12-8-18(9-13-22,16(20)24)23-10-2-1-3-11-23/h4-7H,1-3,8-13H2,(H2,20,24)(H,21,25)
InChIKeyLOERDRAJGKDDBC-UHFFFAOYSA-N
XLogP2.33
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Phenyl-1,3,8-triazaspiro(4.5)decan-4-one
CID 70556
N-(2-fluorophenyl)-4-(4,4,6-trimethyl-2-thioxotetrahydropyrimidin-1(2H)-yl)butanamide
CID 4591607
1'-[(3-Chlorophenyl)carbamothioyl]-1,4'-bipiperidine-4'-carboxamide
CID 1845726
N~1~'-(2,4-difluorophenyl)-1,4'-bipiperidine-1',4'-dicarboxamide
CID 16012830
1-(3-Fluorophenyl)-3-[1-[(4-methyl-1-piperazinyl)-oxomethyl]cyclohexyl]urea
CID 648467
N-(4-fluorophenyl)-4-[2-(2-oxo-1-pyrrolidinyl)ethyl]-1-piperidinecarbothioamide
CID 973628
1-[(3-Chloro-4-fluorophenyl)carbamothioyl]-4-piperidin-1-ylpiperidine-4-carboxamide
CID 1967911
4-Piperidin-1-yl-1-[(4-sulfamoylphenyl)carbamothioyl]piperidine-4-carboxamide
CID 2193503
1-[4-(4-Fluorophenyl)piperazin-1-yl]-4-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)butan-1-one
CID 4661201
1-{1-[3-(3-Fluoro-phenyl)-ureido]-cyclohexanecarbonyl}-piperidine-4-carboxylic acid amide
CID 6487867
1'-[(2,3-Dimethylphenyl)carbamothioyl]-1,4'-bipiperidine-4'-carboxamide
CID 1077074
N-(4-fluorophenyl)-2-[3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetamide
CID 2956846

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)carbamothioyl]-4-piperidin-1-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)carbamothioyl]-4-piperidin-1-ylpiperidine-4-carboxamide (CID 1323207) is 1-[(4-fluorophenyl)carbamothioyl]-4-piperidin-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)carbamothioyl]-4-piperidin-1-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)carbamothioyl]-4-piperidin-1-ylpiperidine-4-carboxamide is NC(=O)C1(N2CCCCC2)CCN(C(=S)Nc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[(4-fluorophenyl)carbamothioyl]-4-piperidin-1-ylpiperidine-4-carboxamide?
The InChIKey is LOERDRAJGKDDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4OS/c19-14-4-6-15(7-5-14)21-17(25)22-12-8-18(9-13-22,16(20)24)23-10-2-1-3-11-23/h4-7H,1-3,8-13H2,(H2,20,24)(H,21,25).
What are the key properties of 1-[(4-fluorophenyl)carbamothioyl]-4-piperidin-1-ylpiperidine-4-carboxamide?
1-[(4-fluorophenyl)carbamothioyl]-4-piperidin-1-ylpiperidine-4-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)carbamothioyl]-4-piperidin-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 1323207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).