1-(2-naphthalen-2-ylsulfanylacetyl)piperidine-4-carboxamide

C18H20N2O2S — CID 2348586

IUPAC1-(2-naphthalen-2-ylsulfanylacetyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)CSc2ccc3ccccc3c2)CC1
InChIInChI=1S/C18H20N2O2S/c19-18(22)14-7-9-20(10-8-14)17(21)12-23-16-6-5-13-3-1-2-4-15(13)11-16/h1-6,11,14H,7-10,12H2,(H2,19,22)
InChIKeyURXVQRAIODUNGG-UHFFFAOYSA-N
MW328.44 g/mol
LogP2.66
Rot. Bonds4

About 1-(2-naphthalen-2-ylsulfanylacetyl)piperidine-4-carboxamide

1-(2-naphthalen-2-ylsulfanylacetyl)piperidine-4-carboxamide (PubChem CID 2348586) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is 1-(2-naphthalen-2-ylsulfanylacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-naphthalen-2-ylsulfanylacetyl)piperidine-4-carboxamide
PubChem CID2348586
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name1-(2-naphthalen-2-ylsulfanylacetyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)CSc2ccc3ccccc3c2)CC1
InChIInChI=1S/C18H20N2O2S/c19-18(22)14-7-9-20(10-8-14)17(21)12-23-16-6-5-13-3-1-2-4-15(13)11-16/h1-6,11,14H,7-10,12H2,(H2,19,22)
InChIKeyURXVQRAIODUNGG-UHFFFAOYSA-N
XLogP2.66
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-naphthalen-2-ylsulfanylacetyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-naphthalen-2-ylsulfanylacetyl)piperidine-4-carboxamide (CID 2348586) is 1-(2-naphthalen-2-ylsulfanylacetyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-naphthalen-2-ylsulfanylacetyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-naphthalen-2-ylsulfanylacetyl)piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)CSc2ccc3ccccc3c2)CC1.
What is the InChIKey of 1-(2-naphthalen-2-ylsulfanylacetyl)piperidine-4-carboxamide?
The InChIKey is URXVQRAIODUNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c19-18(22)14-7-9-20(10-8-14)17(21)12-23-16-6-5-13-3-1-2-4-15(13)11-16/h1-6,11,14H,7-10,12H2,(H2,19,22).
What are the key properties of 1-(2-naphthalen-2-ylsulfanylacetyl)piperidine-4-carboxamide?
1-(2-naphthalen-2-ylsulfanylacetyl)piperidine-4-carboxamide has a molecular weight of 328.44 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-naphthalen-2-ylsulfanylacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 2348586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).