1-[2-(4-fluorophenyl)sulfanylacetyl]-N-pentylpiperidine-4-carboxamide

C19H27FN2O2S — CID 55717756

IUPAC1-[2-(4-fluorophenyl)sulfanylacetyl]-N-pentylpiperidine-4-carboxamide
SMILESCCCCCNC(=O)C1CCN(C(=O)CSc2ccc(F)cc2)CC1
InChIInChI=1S/C19H27FN2O2S/c1-2-3-4-11-21-19(24)15-9-12-22(13-10-15)18(23)14-25-17-7-5-16(20)6-8-17/h5-8,15H,2-4,9-14H2,1H3,(H,21,24)
InChIKeyGZQBIOHYAUJEOG-UHFFFAOYSA-N
MW366.50 g/mol
LogP3.46
Rot. Bonds8

About 1-[2-(4-fluorophenyl)sulfanylacetyl]-N-pentylpiperidine-4-carboxamide

1-[2-(4-fluorophenyl)sulfanylacetyl]-N-pentylpiperidine-4-carboxamide (PubChem CID 55717756) has the molecular formula C19H27FN2O2S and a molecular weight of 366.50 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)sulfanylacetyl]-N-pentylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)sulfanylacetyl]-N-pentylpiperidine-4-carboxamide
PubChem CID55717756
Molecular FormulaC19H27FN2O2S
Molecular Weight366.50 g/mol
Exact Mass366.18
IUPAC Name1-[2-(4-fluorophenyl)sulfanylacetyl]-N-pentylpiperidine-4-carboxamide
SMILESCCCCCNC(=O)C1CCN(C(=O)CSc2ccc(F)cc2)CC1
InChIInChI=1S/C19H27FN2O2S/c1-2-3-4-11-21-19(24)15-9-12-22(13-10-15)18(23)14-25-17-7-5-16(20)6-8-17/h5-8,15H,2-4,9-14H2,1H3,(H,21,24)
InChIKeyGZQBIOHYAUJEOG-UHFFFAOYSA-N
XLogP3.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.50
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 25249272
1-[2-(4-chlorophenyl)sulfanylacetyl]-N-[2-(ethyldisulfanyl)ethyl]piperidine-4-carboxamide
CID 165392480
2-(4-fluorophenyl)sulfanyl-1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 55717949
1-butanoyl-N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-4-carboxamide
CID 42878774
N-pentyl-1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidine-4-carboxamide
CID 55718225
2-(4-fluorophenyl)sulfanyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
CID 22054661
N-pentyl-1-(2,3,4-trifluorobenzoyl)piperidine-4-carboxamide
CID 113005611
2-(4-fluorophenyl)sulfanyl-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 54878308
1-(2,2-diphenylacetyl)-N-pentylpiperidine-4-carboxamide
CID 113005595
1-(2-naphthalen-1-ylacetyl)-N-pentylpiperidine-4-carboxamide
CID 55718134
1-[2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-N-pentylpiperidine-4-carboxamide
CID 55839021
1-[[4-(difluoromethylsulfanyl)phenyl]carbamothioyl]-N-pentylpiperidine-4-carboxamide
CID 43076499

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)sulfanylacetyl]-N-pentylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-(4-fluorophenyl)sulfanylacetyl]-N-pentylpiperidine-4-carboxamide (CID 55717756) is 1-[2-(4-fluorophenyl)sulfanylacetyl]-N-pentylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(4-fluorophenyl)sulfanylacetyl]-N-pentylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-(4-fluorophenyl)sulfanylacetyl]-N-pentylpiperidine-4-carboxamide is CCCCCNC(=O)C1CCN(C(=O)CSc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[2-(4-fluorophenyl)sulfanylacetyl]-N-pentylpiperidine-4-carboxamide?
The InChIKey is GZQBIOHYAUJEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O2S/c1-2-3-4-11-21-19(24)15-9-12-22(13-10-15)18(23)14-25-17-7-5-16(20)6-8-17/h5-8,15H,2-4,9-14H2,1H3,(H,21,24).
What are the key properties of 1-[2-(4-fluorophenyl)sulfanylacetyl]-N-pentylpiperidine-4-carboxamide?
1-[2-(4-fluorophenyl)sulfanylacetyl]-N-pentylpiperidine-4-carboxamide has a molecular weight of 366.50 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)sulfanylacetyl]-N-pentylpiperidine-4-carboxamide is sourced from PubChem (CID 55717756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).