1-(2-phenylsulfanylacetyl)-N-pyridin-2-ylpiperidine-4-carboxamide

C19H21N3O2S — CID 55808341

IUPAC1-(2-phenylsulfanylacetyl)-N-pyridin-2-ylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccn1)C1CCN(C(=O)CSc2ccccc2)CC1
InChIInChI=1S/C19H21N3O2S/c23-18(14-25-16-6-2-1-3-7-16)22-12-9-15(10-13-22)19(24)21-17-8-4-5-11-20-17/h1-8,11,15H,9-10,12-14H2,(H,20,21,24)
InChIKeyYXJYLCIJILXORT-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.05
Rot. Bonds5

About 1-(2-phenylsulfanylacetyl)-N-pyridin-2-ylpiperidine-4-carboxamide

1-(2-phenylsulfanylacetyl)-N-pyridin-2-ylpiperidine-4-carboxamide (PubChem CID 55808341) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 1-(2-phenylsulfanylacetyl)-N-pyridin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-phenylsulfanylacetyl)-N-pyridin-2-ylpiperidine-4-carboxamide
PubChem CID55808341
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name1-(2-phenylsulfanylacetyl)-N-pyridin-2-ylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccn1)C1CCN(C(=O)CSc2ccccc2)CC1
InChIInChI=1S/C19H21N3O2S/c23-18(14-25-16-6-2-1-3-7-16)22-12-9-15(10-13-22)19(24)21-17-8-4-5-11-20-17/h1-8,11,15H,9-10,12-14H2,(H,20,21,24)
InChIKeyYXJYLCIJILXORT-UHFFFAOYSA-N
XLogP3.05
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylsulfanylacetyl)-N-pyridin-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-(2-phenylsulfanylacetyl)-N-pyridin-2-ylpiperidine-4-carboxamide (CID 55808341) is 1-(2-phenylsulfanylacetyl)-N-pyridin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2-phenylsulfanylacetyl)-N-pyridin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2-phenylsulfanylacetyl)-N-pyridin-2-ylpiperidine-4-carboxamide is O=C(Nc1ccccn1)C1CCN(C(=O)CSc2ccccc2)CC1.
What is the InChIKey of 1-(2-phenylsulfanylacetyl)-N-pyridin-2-ylpiperidine-4-carboxamide?
The InChIKey is YXJYLCIJILXORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c23-18(14-25-16-6-2-1-3-7-16)22-12-9-15(10-13-22)19(24)21-17-8-4-5-11-20-17/h1-8,11,15H,9-10,12-14H2,(H,20,21,24).
What are the key properties of 1-(2-phenylsulfanylacetyl)-N-pyridin-2-ylpiperidine-4-carboxamide?
1-(2-phenylsulfanylacetyl)-N-pyridin-2-ylpiperidine-4-carboxamide has a molecular weight of 355.46 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylsulfanylacetyl)-N-pyridin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 55808341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).