[5-(morpholin-4-ylmethyl)pyrazin-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

C17H27N5O2 — CID 11508245

IUPAC[5-(morpholin-4-ylmethyl)pyrazin-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2cnc(CN3CCOCC3)cn2)CC1
InChIInChI=1S/C17H27N5O2/c1-14(2)21-3-5-22(6-4-21)17(23)16-12-18-15(11-19-16)13-20-7-9-24-10-8-20/h11-12,14H,3-10,13H2,1-2H3
InChIKeyIHVNECQDFNGHMR-UHFFFAOYSA-N
MW333.44 g/mol
LogP0.47
Rot. Bonds4

About [5-(morpholin-4-ylmethyl)pyrazin-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

[5-(morpholin-4-ylmethyl)pyrazin-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 11508245) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is [5-(morpholin-4-ylmethyl)pyrazin-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-(morpholin-4-ylmethyl)pyrazin-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID11508245
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name[5-(morpholin-4-ylmethyl)pyrazin-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2cnc(CN3CCOCC3)cn2)CC1
InChIInChI=1S/C17H27N5O2/c1-14(2)21-3-5-22(6-4-21)17(23)16-12-18-15(11-19-16)13-20-7-9-24-10-8-20/h11-12,14H,3-10,13H2,1-2H3
InChIKeyIHVNECQDFNGHMR-UHFFFAOYSA-N
XLogP0.47
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(morpholin-4-ylmethyl)pyrazin-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [5-(morpholin-4-ylmethyl)pyrazin-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (CID 11508245) is [5-(morpholin-4-ylmethyl)pyrazin-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-(morpholin-4-ylmethyl)pyrazin-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [5-(morpholin-4-ylmethyl)pyrazin-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is CC(C)N1CCN(C(=O)c2cnc(CN3CCOCC3)cn2)CC1.
What is the InChIKey of [5-(morpholin-4-ylmethyl)pyrazin-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is IHVNECQDFNGHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-14(2)21-3-5-22(6-4-21)17(23)16-12-18-15(11-19-16)13-20-7-9-24-10-8-20/h11-12,14H,3-10,13H2,1-2H3.
What are the key properties of [5-(morpholin-4-ylmethyl)pyrazin-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
[5-(morpholin-4-ylmethyl)pyrazin-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 333.44 g/mol, XLogP of 0.47, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(morpholin-4-ylmethyl)pyrazin-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 11508245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).