(3R)-N-cyclohexyl-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide

C22H28N4OS — CID 92884372

IUPAC(3R)-N-cyclohexyl-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide
SMILESO=C(NC1CCCCC1)[C@@H]1CCCN(c2nccnc2Sc2ccccc2)C1
InChIInChI=1S/C22H28N4OS/c27-21(25-18-9-3-1-4-10-18)17-8-7-15-26(16-17)20-22(24-14-13-23-20)28-19-11-5-2-6-12-19/h2,5-6,11-14,17-18H,1,3-4,7-10,15-16H2,(H,25,27)/t17-/m1/s1
InChIKeyQJGIDUKNAMXPDH-QGZVFWFLSA-N
MW396.56 g/mol
LogP4.29
Rot. Bonds5

About (3R)-N-cyclohexyl-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide

(3R)-N-cyclohexyl-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide (PubChem CID 92884372) has the molecular formula C22H28N4OS and a molecular weight of 396.56 g/mol. Its IUPAC name is (3R)-N-cyclohexyl-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-cyclohexyl-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide
PubChem CID92884372
Molecular FormulaC22H28N4OS
Molecular Weight396.56 g/mol
Exact Mass396.20
IUPAC Name(3R)-N-cyclohexyl-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide
SMILESO=C(NC1CCCCC1)[C@@H]1CCCN(c2nccnc2Sc2ccccc2)C1
InChIInChI=1S/C22H28N4OS/c27-21(25-18-9-3-1-4-10-18)17-8-7-15-26(16-17)20-22(24-14-13-23-20)28-19-11-5-2-6-12-19/h2,5-6,11-14,17-18H,1,3-4,7-10,15-16H2,(H,25,27)/t17-/m1/s1
InChIKeyQJGIDUKNAMXPDH-QGZVFWFLSA-N
XLogP4.29
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.56
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide
CID 46392301
(3S)-N-(4-fluorophenyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide
CID 92884301
N-[(2-fluorophenyl)methyl]-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide
CID 46392375
(3S)-N-[(4-methylphenyl)methyl]-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide
CID 92884309
(3S)-N-benzyl-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide
CID 92884191
N-[(3-chlorophenyl)methyl]-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide
CID 46392324
1-(3-phenylsulfanylpyrazin-2-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
CID 46392345
(3S)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 92884183
N-[(3,4-dimethoxyphenyl)methyl]-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide
CID 50834443
(3S)-N-cycloheptyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 1452540
(3R)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]-N-(2-methylpropyl)piperidine-3-carboxamide
CID 92897061
N-cycloheptyl-1-pyridin-4-ylpiperidine-3-carboxamide
CID 46384630

Frequently Asked Questions

What is the IUPAC name of (3R)-N-cyclohexyl-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-cyclohexyl-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide (CID 92884372) is (3R)-N-cyclohexyl-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-cyclohexyl-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-cyclohexyl-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide is O=C(NC1CCCCC1)[C@@H]1CCCN(c2nccnc2Sc2ccccc2)C1.
What is the InChIKey of (3R)-N-cyclohexyl-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide?
The InChIKey is QJGIDUKNAMXPDH-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H28N4OS/c27-21(25-18-9-3-1-4-10-18)17-8-7-15-26(16-17)20-22(24-14-13-23-20)28-19-11-5-2-6-12-19/h2,5-6,11-14,17-18H,1,3-4,7-10,15-16H2,(H,25,27)/t17-/m1/s1.
What are the key properties of (3R)-N-cyclohexyl-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide?
(3R)-N-cyclohexyl-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide has a molecular weight of 396.56 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-cyclohexyl-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 92884372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).