1-(2-ethylsulfanylethyl)-N-phenylpiperidine-4-carboxamide

C16H24N2OS — CID 56793227

IUPAC1-(2-ethylsulfanylethyl)-N-phenylpiperidine-4-carboxamide
SMILESCCSCCN1CCC(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C16H24N2OS/c1-2-20-13-12-18-10-8-14(9-11-18)16(19)17-15-6-4-3-5-7-15/h3-7,14H,2,8-13H2,1H3,(H,17,19)
InChIKeyFYSCLQKNYGBHAT-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.09
Rot. Bonds6

About 1-(2-ethylsulfanylethyl)-N-phenylpiperidine-4-carboxamide

1-(2-ethylsulfanylethyl)-N-phenylpiperidine-4-carboxamide (PubChem CID 56793227) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 1-(2-ethylsulfanylethyl)-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-ethylsulfanylethyl)-N-phenylpiperidine-4-carboxamide
PubChem CID56793227
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name1-(2-ethylsulfanylethyl)-N-phenylpiperidine-4-carboxamide
SMILESCCSCCN1CCC(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C16H24N2OS/c1-2-20-13-12-18-10-8-14(9-11-18)16(19)17-15-6-4-3-5-7-15/h3-7,14H,2,8-13H2,1H3,(H,17,19)
InChIKeyFYSCLQKNYGBHAT-UHFFFAOYSA-N
XLogP3.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.09
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

1-[2-(methylamino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 78817800
1-(2-amino-2-oxoethyl)-N-phenylpiperidine-4-carboxamide
CID 9134210
2-[2-(azepan-1-yl)ethylsulfanyl]-N-phenylacetamide
CID 134064612
1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-N-phenylpiperidine-4-carboxamide
CID 9134290
1-pentanoyl-N-phenylpiperidine-4-carboxamide
CID 17491790
1-[(3-chlorophenyl)methyl]-N-phenylpiperidine-4-carboxamide
CID 18089102
1-[2-(2,5-dichlorophenyl)sulfonylethyl]-N-phenylpiperidine-4-carboxamide
CID 26674902
1-(naphthalen-1-ylmethyl)-N-phenylpiperidine-4-carboxamide
CID 18089122
1-[(E)-4-amino-4-oxobut-2-enyl]-N-phenylpiperidine-4-carboxamide
CID 154726171
1-[2-(4-fluoroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134233
1-[2-oxo-2-(1-phenylethylamino)ethyl]-N-phenylpiperidine-4-carboxamide
CID 18089114
1-[[4-methyl-5-sulfanylidene-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methyl]-N-phenylpiperidine-4-carboxamide
CID 9325954

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylsulfanylethyl)-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-(2-ethylsulfanylethyl)-N-phenylpiperidine-4-carboxamide (CID 56793227) is 1-(2-ethylsulfanylethyl)-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2-ethylsulfanylethyl)-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2-ethylsulfanylethyl)-N-phenylpiperidine-4-carboxamide is CCSCCN1CCC(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 1-(2-ethylsulfanylethyl)-N-phenylpiperidine-4-carboxamide?
The InChIKey is FYSCLQKNYGBHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-2-20-13-12-18-10-8-14(9-11-18)16(19)17-15-6-4-3-5-7-15/h3-7,14H,2,8-13H2,1H3,(H,17,19).
What are the key properties of 1-(2-ethylsulfanylethyl)-N-phenylpiperidine-4-carboxamide?
1-(2-ethylsulfanylethyl)-N-phenylpiperidine-4-carboxamide has a molecular weight of 292.45 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfanylethyl)-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 56793227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).