(4-ethylpiperazin-1-yl)-[1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidin-4-yl]methanone

C23H31N5OS — CID 53129921

IUPAC(4-ethylpiperazin-1-yl)-[1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidin-4-yl]methanone
SMILESCCN1CCN(C(=O)C2CCN(c3nccnc3Sc3ccc(C)cc3)CC2)CC1
InChIInChI=1S/C23H31N5OS/c1-3-26-14-16-28(17-15-26)23(29)19-8-12-27(13-9-19)21-22(25-11-10-24-21)30-20-6-4-18(2)5-7-20/h4-7,10-11,19H,3,8-9,12-17H2,1-2H3
InChIKeyWSGUOYNGKQDADO-UHFFFAOYSA-N
MW425.60 g/mol
LogP3.32
Rot. Bonds5

About (4-ethylpiperazin-1-yl)-[1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidin-4-yl]methanone

(4-ethylpiperazin-1-yl)-[1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidin-4-yl]methanone (PubChem CID 53129921) has the molecular formula C23H31N5OS and a molecular weight of 425.60 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-[1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-[1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidin-4-yl]methanone
PubChem CID53129921
Molecular FormulaC23H31N5OS
Molecular Weight425.60 g/mol
Exact Mass425.22
IUPAC Name(4-ethylpiperazin-1-yl)-[1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidin-4-yl]methanone
SMILESCCN1CCN(C(=O)C2CCN(c3nccnc3Sc3ccc(C)cc3)CC2)CC1
InChIInChI=1S/C23H31N5OS/c1-3-26-14-16-28(17-15-26)23(29)19-8-12-27(13-9-19)21-22(25-11-10-24-21)30-20-6-4-18(2)5-7-20/h4-7,10-11,19H,3,8-9,12-17H2,1-2H3
InChIKeyWSGUOYNGKQDADO-UHFFFAOYSA-N
XLogP3.32
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.60
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-tert-butyl-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-4-carboxamide
CID 53129863
[1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 50834375
N-(3-fluorophenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-4-carboxamide
CID 53129879
[1-[3,4-dimethyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazin-7-yl]piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 20920358
N-cyclopropyl-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide
CID 46392301
(3S)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]-N-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
CID 92884265
(4-ethylpiperazin-1-yl)-[1-(4-morpholin-4-ylpyrimidin-5-yl)piperidin-4-yl]methanone
CID 53165758
ethyl 3-[[1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carbonyl]amino]propanoate
CID 50834361
(3S)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 92884183
[1-[3-(4-ethylphenoxy)pyrazin-2-yl]piperidin-4-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanone
CID 50834314
(3S)-N-benzyl-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide
CID 92884191
N-(3-methoxypropyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide
CID 46392307

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-[1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidin-4-yl]methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-[1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidin-4-yl]methanone (CID 53129921) is (4-ethylpiperazin-1-yl)-[1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidin-4-yl]methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-[1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidin-4-yl]methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-[1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidin-4-yl]methanone is CCN1CCN(C(=O)C2CCN(c3nccnc3Sc3ccc(C)cc3)CC2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-[1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidin-4-yl]methanone?
The InChIKey is WSGUOYNGKQDADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5OS/c1-3-26-14-16-28(17-15-26)23(29)19-8-12-27(13-9-19)21-22(25-11-10-24-21)30-20-6-4-18(2)5-7-20/h4-7,10-11,19H,3,8-9,12-17H2,1-2H3.
What are the key properties of (4-ethylpiperazin-1-yl)-[1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidin-4-yl]methanone?
(4-ethylpiperazin-1-yl)-[1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidin-4-yl]methanone has a molecular weight of 425.60 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-[1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidin-4-yl]methanone is sourced from PubChem (CID 53129921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).