2-(piperidin-4-ylmethoxy)-5-(4-propan-2-ylsulfonylpiperazin-1-yl)pyrazine

C17H29N5O3S — CID 141339112

IUPAC2-(piperidin-4-ylmethoxy)-5-(4-propan-2-ylsulfonylpiperazin-1-yl)pyrazine
SMILESCC(C)S(=O)(=O)N1CCN(c2cnc(OCC3CCNCC3)cn2)CC1
InChIInChI=1S/C17H29N5O3S/c1-14(2)26(23,24)22-9-7-21(8-10-22)16-11-20-17(12-19-16)25-13-15-3-5-18-6-4-15/h11-12,14-15,18H,3-10,13H2,1-2H3
InChIKeyQKUGBPWOENCEET-UHFFFAOYSA-N
MW383.52 g/mol
LogP0.72
Rot. Bonds6

About 2-(piperidin-4-ylmethoxy)-5-(4-propan-2-ylsulfonylpiperazin-1-yl)pyrazine

2-(piperidin-4-ylmethoxy)-5-(4-propan-2-ylsulfonylpiperazin-1-yl)pyrazine (PubChem CID 141339112) has the molecular formula C17H29N5O3S and a molecular weight of 383.52 g/mol. Its IUPAC name is 2-(piperidin-4-ylmethoxy)-5-(4-propan-2-ylsulfonylpiperazin-1-yl)pyrazine.

Molecular Properties

Compound Name2-(piperidin-4-ylmethoxy)-5-(4-propan-2-ylsulfonylpiperazin-1-yl)pyrazine
PubChem CID141339112
Molecular FormulaC17H29N5O3S
Molecular Weight383.52 g/mol
Exact Mass383.20
IUPAC Name2-(piperidin-4-ylmethoxy)-5-(4-propan-2-ylsulfonylpiperazin-1-yl)pyrazine
SMILESCC(C)S(=O)(=O)N1CCN(c2cnc(OCC3CCNCC3)cn2)CC1
InChIInChI=1S/C17H29N5O3S/c1-14(2)26(23,24)22-9-7-21(8-10-22)16-11-20-17(12-19-16)25-13-15-3-5-18-6-4-15/h11-12,14-15,18H,3-10,13H2,1-2H3
InChIKeyQKUGBPWOENCEET-UHFFFAOYSA-N
XLogP0.72
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-4-ylmethoxy)-5-(4-propan-2-ylsulfonylpiperazin-1-yl)pyrazine?
The IUPAC name of 2-(piperidin-4-ylmethoxy)-5-(4-propan-2-ylsulfonylpiperazin-1-yl)pyrazine (CID 141339112) is 2-(piperidin-4-ylmethoxy)-5-(4-propan-2-ylsulfonylpiperazin-1-yl)pyrazine.
What is the SMILES notation for 2-(piperidin-4-ylmethoxy)-5-(4-propan-2-ylsulfonylpiperazin-1-yl)pyrazine?
The canonical SMILES for 2-(piperidin-4-ylmethoxy)-5-(4-propan-2-ylsulfonylpiperazin-1-yl)pyrazine is CC(C)S(=O)(=O)N1CCN(c2cnc(OCC3CCNCC3)cn2)CC1.
What is the InChIKey of 2-(piperidin-4-ylmethoxy)-5-(4-propan-2-ylsulfonylpiperazin-1-yl)pyrazine?
The InChIKey is QKUGBPWOENCEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O3S/c1-14(2)26(23,24)22-9-7-21(8-10-22)16-11-20-17(12-19-16)25-13-15-3-5-18-6-4-15/h11-12,14-15,18H,3-10,13H2,1-2H3.
What are the key properties of 2-(piperidin-4-ylmethoxy)-5-(4-propan-2-ylsulfonylpiperazin-1-yl)pyrazine?
2-(piperidin-4-ylmethoxy)-5-(4-propan-2-ylsulfonylpiperazin-1-yl)pyrazine has a molecular weight of 383.52 g/mol, XLogP of 0.72, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-4-ylmethoxy)-5-(4-propan-2-ylsulfonylpiperazin-1-yl)pyrazine is sourced from PubChem (CID 141339112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).