1-[2-(2-fluorophenyl)acetyl]-4-methylpiperidine-4-carbothioamide

C15H19FN2OS — CID 107161132

IUPAC1-[2-(2-fluorophenyl)acetyl]-4-methylpiperidine-4-carbothioamide
SMILESCC1(C(N)=S)CCN(C(=O)Cc2ccccc2F)CC1
InChIInChI=1S/C15H19FN2OS/c1-15(14(17)20)6-8-18(9-7-15)13(19)10-11-4-2-3-5-12(11)16/h2-5H,6-10H2,1H3,(H2,17,20)
InChIKeyFJQVGCPQRMQYNO-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.28
Rot. Bonds3

About 1-[2-(2-fluorophenyl)acetyl]-4-methylpiperidine-4-carbothioamide

1-[2-(2-fluorophenyl)acetyl]-4-methylpiperidine-4-carbothioamide (PubChem CID 107161132) has the molecular formula C15H19FN2OS and a molecular weight of 294.39 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)acetyl]-4-methylpiperidine-4-carbothioamide.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)acetyl]-4-methylpiperidine-4-carbothioamide
PubChem CID107161132
Molecular FormulaC15H19FN2OS
Molecular Weight294.39 g/mol
Exact Mass294.12
IUPAC Name1-[2-(2-fluorophenyl)acetyl]-4-methylpiperidine-4-carbothioamide
SMILESCC1(C(N)=S)CCN(C(=O)Cc2ccccc2F)CC1
InChIInChI=1S/C15H19FN2OS/c1-15(14(17)20)6-8-18(9-7-15)13(19)10-11-4-2-3-5-12(11)16/h2-5H,6-10H2,1H3,(H2,17,20)
InChIKeyFJQVGCPQRMQYNO-UHFFFAOYSA-N
XLogP2.28
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluorophenyl)-1-[4-methyl-4-(methylamino)piperidin-1-yl]ethanone
CID 115304559
1-[2-(3,4-dimethylphenyl)acetyl]-4-methylpiperidine-4-carbothioamide
CID 107161126
2-(2-fluorophenyl)-1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)ethanone
CID 112534302
1-benzoyl-4-methylpiperidine-4-carbothioamide
CID 107160872
2-(2-fluorophenyl)-1-[(4S)-4-hydroxy-4-(hydroxymethyl)azepan-1-yl]ethanone
CID 95715359
1-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone;hydrochloride
CID 102553352
4-methyl-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 110097823
(2R)-2-amino-1-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one;hydrochloride
CID 119306879
1-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]propan-1-one
CID 112536906
2-(2-fluorophenyl)-1-(1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone
CID 110203853
1-[(3S,4S)-3,4-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(2-fluorophenyl)ethanone
CID 163305287
1-(2-hydroxybenzoyl)-4-methylpiperidine-4-carbothioamide
CID 107161017

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)acetyl]-4-methylpiperidine-4-carbothioamide?
The IUPAC name of 1-[2-(2-fluorophenyl)acetyl]-4-methylpiperidine-4-carbothioamide (CID 107161132) is 1-[2-(2-fluorophenyl)acetyl]-4-methylpiperidine-4-carbothioamide.
What is the SMILES notation for 1-[2-(2-fluorophenyl)acetyl]-4-methylpiperidine-4-carbothioamide?
The canonical SMILES for 1-[2-(2-fluorophenyl)acetyl]-4-methylpiperidine-4-carbothioamide is CC1(C(N)=S)CCN(C(=O)Cc2ccccc2F)CC1.
What is the InChIKey of 1-[2-(2-fluorophenyl)acetyl]-4-methylpiperidine-4-carbothioamide?
The InChIKey is FJQVGCPQRMQYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2OS/c1-15(14(17)20)6-8-18(9-7-15)13(19)10-11-4-2-3-5-12(11)16/h2-5H,6-10H2,1H3,(H2,17,20).
What are the key properties of 1-[2-(2-fluorophenyl)acetyl]-4-methylpiperidine-4-carbothioamide?
1-[2-(2-fluorophenyl)acetyl]-4-methylpiperidine-4-carbothioamide has a molecular weight of 294.39 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)acetyl]-4-methylpiperidine-4-carbothioamide is sourced from PubChem (CID 107161132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).