1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-hydroxy-2-phenylethanone

C17H24N2O2 — CID 102849931

IUPAC1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-hydroxy-2-phenylethanone
SMILESO=C(C(O)c1ccccc1)N1CCCC2(CCCNC2)C1
InChIInChI=1S/C17H24N2O2/c20-15(14-6-2-1-3-7-14)16(21)19-11-5-9-17(13-19)8-4-10-18-12-17/h1-3,6-7,15,18,20H,4-5,8-13H2
InChIKeyIUGZJQQPZPWUBF-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.71
Rot. Bonds2

About 1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-hydroxy-2-phenylethanone

1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-hydroxy-2-phenylethanone (PubChem CID 102849931) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-hydroxy-2-phenylethanone.

Molecular Properties

Compound Name1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-hydroxy-2-phenylethanone
PubChem CID102849931
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-hydroxy-2-phenylethanone
SMILESO=C(C(O)c1ccccc1)N1CCCC2(CCCNC2)C1
InChIInChI=1S/C17H24N2O2/c20-15(14-6-2-1-3-7-14)16(21)19-11-5-9-17(13-19)8-4-10-18-12-17/h1-3,6-7,15,18,20H,4-5,8-13H2
InChIKeyIUGZJQQPZPWUBF-UHFFFAOYSA-N
XLogP1.71
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-hydroxy-2-phenylethanone?
The IUPAC name of 1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-hydroxy-2-phenylethanone (CID 102849931) is 1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-hydroxy-2-phenylethanone.
What is the SMILES notation for 1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-hydroxy-2-phenylethanone?
The canonical SMILES for 1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-hydroxy-2-phenylethanone is O=C(C(O)c1ccccc1)N1CCCC2(CCCNC2)C1.
What is the InChIKey of 1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-hydroxy-2-phenylethanone?
The InChIKey is IUGZJQQPZPWUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c20-15(14-6-2-1-3-7-14)16(21)19-11-5-9-17(13-19)8-4-10-18-12-17/h1-3,6-7,15,18,20H,4-5,8-13H2.
What are the key properties of 1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-hydroxy-2-phenylethanone?
1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-hydroxy-2-phenylethanone has a molecular weight of 288.39 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-hydroxy-2-phenylethanone is sourced from PubChem (CID 102849931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).