1-(2-phenylsulfanylethyl)piperidine-4-carboxamide

C14H20N2OS — CID 56790465

IUPAC1-(2-phenylsulfanylethyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CCSc2ccccc2)CC1
InChIInChI=1S/C14H20N2OS/c15-14(17)12-6-8-16(9-7-12)10-11-18-13-4-2-1-3-5-13/h1-5,12H,6-11H2,(H2,15,17)
InChIKeyKDDHVQKTSMAVQF-UHFFFAOYSA-N
MW264.39 g/mol
LogP1.98
Rot. Bonds5

About 1-(2-phenylsulfanylethyl)piperidine-4-carboxamide

1-(2-phenylsulfanylethyl)piperidine-4-carboxamide (PubChem CID 56790465) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 1-(2-phenylsulfanylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-phenylsulfanylethyl)piperidine-4-carboxamide
PubChem CID56790465
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name1-(2-phenylsulfanylethyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CCSc2ccccc2)CC1
InChIInChI=1S/C14H20N2OS/c15-14(17)12-6-8-16(9-7-12)10-11-18-13-4-2-1-3-5-13/h1-5,12H,6-11H2,(H2,15,17)
InChIKeyKDDHVQKTSMAVQF-UHFFFAOYSA-N
XLogP1.98
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylsulfanylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-phenylsulfanylethyl)piperidine-4-carboxamide (CID 56790465) is 1-(2-phenylsulfanylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-phenylsulfanylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-phenylsulfanylethyl)piperidine-4-carboxamide is NC(=O)C1CCN(CCSc2ccccc2)CC1.
What is the InChIKey of 1-(2-phenylsulfanylethyl)piperidine-4-carboxamide?
The InChIKey is KDDHVQKTSMAVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c15-14(17)12-6-8-16(9-7-12)10-11-18-13-4-2-1-3-5-13/h1-5,12H,6-11H2,(H2,15,17).
What are the key properties of 1-(2-phenylsulfanylethyl)piperidine-4-carboxamide?
1-(2-phenylsulfanylethyl)piperidine-4-carboxamide has a molecular weight of 264.39 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylsulfanylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 56790465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).