3-ethylsulfanyl-N-[1-(1-phenylethyl)piperidin-4-yl]propanamide

C18H28N2OS — CID 56791471

IUPAC3-ethylsulfanyl-N-[1-(1-phenylethyl)piperidin-4-yl]propanamide
SMILESCCSCCC(=O)NC1CCN(C(C)c2ccccc2)CC1
InChIInChI=1S/C18H28N2OS/c1-3-22-14-11-18(21)19-17-9-12-20(13-10-17)15(2)16-7-5-4-6-8-16/h4-8,15,17H,3,9-14H2,1-2H3,(H,19,21)
InChIKeyAFGNPFJFVDXKPN-UHFFFAOYSA-N
MW320.50 g/mol
LogP3.47
Rot. Bonds7

About 3-ethylsulfanyl-N-[1-(1-phenylethyl)piperidin-4-yl]propanamide

3-ethylsulfanyl-N-[1-(1-phenylethyl)piperidin-4-yl]propanamide (PubChem CID 56791471) has the molecular formula C18H28N2OS and a molecular weight of 320.50 g/mol. Its IUPAC name is 3-ethylsulfanyl-N-[1-(1-phenylethyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name3-ethylsulfanyl-N-[1-(1-phenylethyl)piperidin-4-yl]propanamide
PubChem CID56791471
Molecular FormulaC18H28N2OS
Molecular Weight320.50 g/mol
Exact Mass320.19
IUPAC Name3-ethylsulfanyl-N-[1-(1-phenylethyl)piperidin-4-yl]propanamide
SMILESCCSCCC(=O)NC1CCN(C(C)c2ccccc2)CC1
InChIInChI=1S/C18H28N2OS/c1-3-22-14-11-18(21)19-17-9-12-20(13-10-17)15(2)16-7-5-4-6-8-16/h4-8,15,17H,3,9-14H2,1-2H3,(H,19,21)
InChIKeyAFGNPFJFVDXKPN-UHFFFAOYSA-N
XLogP3.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.50
LogP ≤ 53.47
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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Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-N-[1-(1-phenylethyl)piperidin-4-yl]propanamide?
The IUPAC name of 3-ethylsulfanyl-N-[1-(1-phenylethyl)piperidin-4-yl]propanamide (CID 56791471) is 3-ethylsulfanyl-N-[1-(1-phenylethyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 3-ethylsulfanyl-N-[1-(1-phenylethyl)piperidin-4-yl]propanamide?
The canonical SMILES for 3-ethylsulfanyl-N-[1-(1-phenylethyl)piperidin-4-yl]propanamide is CCSCCC(=O)NC1CCN(C(C)c2ccccc2)CC1.
What is the InChIKey of 3-ethylsulfanyl-N-[1-(1-phenylethyl)piperidin-4-yl]propanamide?
The InChIKey is AFGNPFJFVDXKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2OS/c1-3-22-14-11-18(21)19-17-9-12-20(13-10-17)15(2)16-7-5-4-6-8-16/h4-8,15,17H,3,9-14H2,1-2H3,(H,19,21).
What are the key properties of 3-ethylsulfanyl-N-[1-(1-phenylethyl)piperidin-4-yl]propanamide?
3-ethylsulfanyl-N-[1-(1-phenylethyl)piperidin-4-yl]propanamide has a molecular weight of 320.50 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-N-[1-(1-phenylethyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 56791471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).