(3R,6R)-6-methyl-1-(4-pyridin-2-ylsulfanylbenzoyl)piperidine-3-carboxamide

C19H21N3O2S — CID 52531236

IUPAC(3R,6R)-6-methyl-1-(4-pyridin-2-ylsulfanylbenzoyl)piperidine-3-carboxamide
SMILESC[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccc(Sc2ccccn2)cc1
InChIInChI=1S/C19H21N3O2S/c1-13-5-6-15(18(20)23)12-22(13)19(24)14-7-9-16(10-8-14)25-17-4-2-3-11-21-17/h2-4,7-11,13,15H,5-6,12H2,1H3,(H2,20,23)/t13-,15-/m1/s1
InChIKeyWQMPJWPCRWEMIR-UKRRQHHQSA-N
MW355.46 g/mol
LogP2.96
Rot. Bonds4

About (3R,6R)-6-methyl-1-(4-pyridin-2-ylsulfanylbenzoyl)piperidine-3-carboxamide

(3R,6R)-6-methyl-1-(4-pyridin-2-ylsulfanylbenzoyl)piperidine-3-carboxamide (PubChem CID 52531236) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is (3R,6R)-6-methyl-1-(4-pyridin-2-ylsulfanylbenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,6R)-6-methyl-1-(4-pyridin-2-ylsulfanylbenzoyl)piperidine-3-carboxamide
PubChem CID52531236
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name(3R,6R)-6-methyl-1-(4-pyridin-2-ylsulfanylbenzoyl)piperidine-3-carboxamide
SMILESC[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccc(Sc2ccccn2)cc1
InChIInChI=1S/C19H21N3O2S/c1-13-5-6-15(18(20)23)12-22(13)19(24)14-7-9-16(10-8-14)25-17-4-2-3-11-21-17/h2-4,7-11,13,15H,5-6,12H2,1H3,(H2,20,23)/t13-,15-/m1/s1
InChIKeyWQMPJWPCRWEMIR-UKRRQHHQSA-N
XLogP2.96
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,6R)-6-methyl-1-(4-pyridin-2-ylsulfanylbenzoyl)piperidine-3-carboxamide?
The IUPAC name of (3R,6R)-6-methyl-1-(4-pyridin-2-ylsulfanylbenzoyl)piperidine-3-carboxamide (CID 52531236) is (3R,6R)-6-methyl-1-(4-pyridin-2-ylsulfanylbenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R,6R)-6-methyl-1-(4-pyridin-2-ylsulfanylbenzoyl)piperidine-3-carboxamide?
The canonical SMILES for (3R,6R)-6-methyl-1-(4-pyridin-2-ylsulfanylbenzoyl)piperidine-3-carboxamide is C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccc(Sc2ccccn2)cc1.
What is the InChIKey of (3R,6R)-6-methyl-1-(4-pyridin-2-ylsulfanylbenzoyl)piperidine-3-carboxamide?
The InChIKey is WQMPJWPCRWEMIR-UKRRQHHQSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-13-5-6-15(18(20)23)12-22(13)19(24)14-7-9-16(10-8-14)25-17-4-2-3-11-21-17/h2-4,7-11,13,15H,5-6,12H2,1H3,(H2,20,23)/t13-,15-/m1/s1.
What are the key properties of (3R,6R)-6-methyl-1-(4-pyridin-2-ylsulfanylbenzoyl)piperidine-3-carboxamide?
(3R,6R)-6-methyl-1-(4-pyridin-2-ylsulfanylbenzoyl)piperidine-3-carboxamide has a molecular weight of 355.46 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6R)-6-methyl-1-(4-pyridin-2-ylsulfanylbenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 52531236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).