(3R)-N-(4-methoxy-2-methylphenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide

C25H28N4O2S — CID 92897069

IUPAC(3R)-N-(4-methoxy-2-methylphenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2CCCN(c3nccnc3Sc3ccc(C)cc3)C2)c(C)c1
InChIInChI=1S/C25H28N4O2S/c1-17-6-9-21(10-7-17)32-25-23(26-12-13-27-25)29-14-4-5-19(16-29)24(30)28-22-11-8-20(31-3)15-18(22)2/h6-13,15,19H,4-5,14,16H2,1-3H3,(H,28,30)/t19-/m1/s1
InChIKeyVMEXBYYADZERDZ-LJQANCHMSA-N
MW448.59 g/mol
LogP5.11
Rot. Bonds6

About (3R)-N-(4-methoxy-2-methylphenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide

(3R)-N-(4-methoxy-2-methylphenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide (PubChem CID 92897069) has the molecular formula C25H28N4O2S and a molecular weight of 448.59 g/mol. Its IUPAC name is (3R)-N-(4-methoxy-2-methylphenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(4-methoxy-2-methylphenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide
PubChem CID92897069
Molecular FormulaC25H28N4O2S
Molecular Weight448.59 g/mol
Exact Mass448.19
IUPAC Name(3R)-N-(4-methoxy-2-methylphenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2CCCN(c3nccnc3Sc3ccc(C)cc3)C2)c(C)c1
InChIInChI=1S/C25H28N4O2S/c1-17-6-9-21(10-7-17)32-25-23(26-12-13-27-25)29-14-4-5-19(16-29)24(30)28-22-11-8-20(31-3)15-18(22)2/h6-13,15,19H,4-5,14,16H2,1-3H3,(H,28,30)/t19-/m1/s1
InChIKeyVMEXBYYADZERDZ-LJQANCHMSA-N
XLogP5.11
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.59
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-N-(4-methoxy-2-methylphenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-fluoro-2-methylphenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide
CID 50834360
(3R)-N-(2,5-dimethylphenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide
CID 92884222
(3S)-N-(3,4-dimethoxyphenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide
CID 92884187
(3S)-N-[(3,5-dimethoxyphenyl)methyl]-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide
CID 92897095
(3S)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide
CID 92897080
(3S)-N-(3-fluoro-2-methylphenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide
CID 92897056
N-cyclopropyl-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide
CID 46392301
N-(3-fluorophenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide
CID 50834334
(3S)-N-(4-ethylphenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide
CID 92884205
(3R)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]-N-(2-methylpropyl)piperidine-3-carboxamide
CID 92897061
N-(3-methoxypropyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide
CID 46392307
N-(4-fluoro-2-methylphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 50835943

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-methoxy-2-methylphenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(4-methoxy-2-methylphenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide (CID 92897069) is (3R)-N-(4-methoxy-2-methylphenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(4-methoxy-2-methylphenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(4-methoxy-2-methylphenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide is COc1ccc(NC(=O)[C@@H]2CCCN(c3nccnc3Sc3ccc(C)cc3)C2)c(C)c1.
What is the InChIKey of (3R)-N-(4-methoxy-2-methylphenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide?
The InChIKey is VMEXBYYADZERDZ-LJQANCHMSA-N. The full InChI is InChI=1S/C25H28N4O2S/c1-17-6-9-21(10-7-17)32-25-23(26-12-13-27-25)29-14-4-5-19(16-29)24(30)28-22-11-8-20(31-3)15-18(22)2/h6-13,15,19H,4-5,14,16H2,1-3H3,(H,28,30)/t19-/m1/s1.
What are the key properties of (3R)-N-(4-methoxy-2-methylphenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide?
(3R)-N-(4-methoxy-2-methylphenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide has a molecular weight of 448.59 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4-methoxy-2-methylphenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 92897069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).