2-(3-hydroxypropyl)-8-(3-methylpyrazin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one

C17H26N4O2 — CID 70744391

IUPAC2-(3-hydroxypropyl)-8-(3-methylpyrazin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCc1nccnc1N1CCCC2(CCC(=O)N(CCCO)C2)C1
InChIInChI=1S/C17H26N4O2/c1-14-16(19-8-7-18-14)21-9-2-5-17(13-21)6-4-15(23)20(12-17)10-3-11-22/h7-8,22H,2-6,9-13H2,1H3
InChIKeyNXEMLLZRVMIRSJ-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.38
Rot. Bonds4

About 2-(3-hydroxypropyl)-8-(3-methylpyrazin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one

2-(3-hydroxypropyl)-8-(3-methylpyrazin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70744391) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-(3-hydroxypropyl)-8-(3-methylpyrazin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(3-hydroxypropyl)-8-(3-methylpyrazin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70744391
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name2-(3-hydroxypropyl)-8-(3-methylpyrazin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCc1nccnc1N1CCCC2(CCC(=O)N(CCCO)C2)C1
InChIInChI=1S/C17H26N4O2/c1-14-16(19-8-7-18-14)21-9-2-5-17(13-21)6-4-15(23)20(12-17)10-3-11-22/h7-8,22H,2-6,9-13H2,1H3
InChIKeyNXEMLLZRVMIRSJ-UHFFFAOYSA-N
XLogP1.38
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropyl)-8-(3-methylpyrazin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(3-hydroxypropyl)-8-(3-methylpyrazin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one (CID 70744391) is 2-(3-hydroxypropyl)-8-(3-methylpyrazin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(3-hydroxypropyl)-8-(3-methylpyrazin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(3-hydroxypropyl)-8-(3-methylpyrazin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one is Cc1nccnc1N1CCCC2(CCC(=O)N(CCCO)C2)C1.
What is the InChIKey of 2-(3-hydroxypropyl)-8-(3-methylpyrazin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is NXEMLLZRVMIRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-14-16(19-8-7-18-14)21-9-2-5-17(13-21)6-4-15(23)20(12-17)10-3-11-22/h7-8,22H,2-6,9-13H2,1H3.
What are the key properties of 2-(3-hydroxypropyl)-8-(3-methylpyrazin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one?
2-(3-hydroxypropyl)-8-(3-methylpyrazin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 318.42 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropyl)-8-(3-methylpyrazin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70744391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).