N-tert-butyl-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-4-carboxamide

C21H28N4OS — CID 53129863

IUPACN-tert-butyl-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-4-carboxamide
SMILESCc1ccc(Sc2nccnc2N2CCC(C(=O)NC(C)(C)C)CC2)cc1
InChIInChI=1S/C21H28N4OS/c1-15-5-7-17(8-6-15)27-20-18(22-11-12-23-20)25-13-9-16(10-14-25)19(26)24-21(2,3)4/h5-8,11-12,16H,9-10,13-14H2,1-4H3,(H,24,26)
InChIKeyQTPHFFUKHZORTH-UHFFFAOYSA-N
MW384.55 g/mol
LogP4.07
Rot. Bonds4

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

N-tert-butyl-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-4-carboxamide (PubChem CID 53129863) has the molecular formula C21H28N4OS and a molecular weight of 384.55 g/mol. Its IUPAC name is N-tert-butyl-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-4-carboxamide
PubChem CID53129863
Molecular FormulaC21H28N4OS
Molecular Weight384.55 g/mol
Exact Mass384.20
IUPAC NameN-tert-butyl-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-4-carboxamide
SMILESCc1ccc(Sc2nccnc2N2CCC(C(=O)NC(C)(C)C)CC2)cc1
InChIInChI=1S/C21H28N4OS/c1-15-5-7-17(8-6-15)27-20-18(22-11-12-23-20)25-13-9-16(10-14-25)19(26)24-21(2,3)4/h5-8,11-12,16H,9-10,13-14H2,1-4H3,(H,24,26)
InChIKeyQTPHFFUKHZORTH-UHFFFAOYSA-N
XLogP4.07
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.55
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-4-carboxamide
CID 53129880
N-(3-fluorophenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-4-carboxamide
CID 53129879
1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 95092282
N-(5-chloro-2,4-dimethoxyphenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-4-carboxamide
CID 53129868
(4-ethylpiperazin-1-yl)-[1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidin-4-yl]methanone
CID 53129921
N-cyclopropyl-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide
CID 46392301
(3R)-N-(2,5-dimethylphenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide
CID 92884222
(3R)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]-N-(2-methylpropyl)piperidine-3-carboxamide
CID 92897061
(3S)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 92884183
N-(3-methylbutyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide
CID 50834261
N-(3-methylbutyl)-1-[3-(3-methylphenyl)sulfanylpyrazin-2-yl]piperidine-4-carboxamide
CID 46392266
1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]-N-pentylpiperidine-3-carboxamide
CID 46392303

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-tert-butyl-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-4-carboxamide (CID 53129863) is N-tert-butyl-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-tert-butyl-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-tert-butyl-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-4-carboxamide is Cc1ccc(Sc2nccnc2N2CCC(C(=O)NC(C)(C)C)CC2)cc1.
What is the InChIKey of N-tert-butyl-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-4-carboxamide?
The InChIKey is QTPHFFUKHZORTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4OS/c1-15-5-7-17(8-6-15)27-20-18(22-11-12-23-20)25-13-9-16(10-14-25)19(26)24-21(2,3)4/h5-8,11-12,16H,9-10,13-14H2,1-4H3,(H,24,26).
What are the key properties of N-tert-butyl-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-4-carboxamide?
N-tert-butyl-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-4-carboxamide has a molecular weight of 384.55 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 53129863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).