9-(1-oxa-9-azaspiro[5.5]undecan-4-yl)-2,9-diazaspiro[5.5]undecan-3-one;dihydrochloride

C18H33Cl2N3O2 — CID 154920877

IUPAC9-(1-oxa-9-azaspiro[5.5]undecan-4-yl)-2,9-diazaspiro[5.5]undecan-3-one;dihydrochloride
SMILESCl.Cl.O=C1CCC2(CCN(C3CCOC4(CCNCC4)C3)CC2)CN1
InChIInChI=1S/C18H31N3O2.2ClH/c22-16-1-3-17(14-20-16)6-10-21(11-7-17)15-2-12-23-18(13-15)4-8-19-9-5-18;;/h15,19H,1-14H2,(H,20,22);2*1H
InChIKeyGLUWEOOGNGOTMC-UHFFFAOYSA-N
MW394.39 g/mol
LogP2.12
Rot. Bonds1

About 9-(1-oxa-9-azaspiro[5.5]undecan-4-yl)-2,9-diazaspiro[5.5]undecan-3-one;dihydrochloride

9-(1-oxa-9-azaspiro[5.5]undecan-4-yl)-2,9-diazaspiro[5.5]undecan-3-one;dihydrochloride (PubChem CID 154920877) has the molecular formula C18H33Cl2N3O2 and a molecular weight of 394.39 g/mol. Its IUPAC name is 9-(1-oxa-9-azaspiro[5.5]undecan-4-yl)-2,9-diazaspiro[5.5]undecan-3-one;dihydrochloride.

Molecular Properties

Compound Name9-(1-oxa-9-azaspiro[5.5]undecan-4-yl)-2,9-diazaspiro[5.5]undecan-3-one;dihydrochloride
PubChem CID154920877
Molecular FormulaC18H33Cl2N3O2
Molecular Weight394.39 g/mol
Exact Mass393.19
IUPAC Name9-(1-oxa-9-azaspiro[5.5]undecan-4-yl)-2,9-diazaspiro[5.5]undecan-3-one;dihydrochloride
SMILESCl.Cl.O=C1CCC2(CCN(C3CCOC4(CCNCC4)C3)CC2)CN1
InChIInChI=1S/C18H31N3O2.2ClH/c22-16-1-3-17(14-20-16)6-10-21(11-7-17)15-2-12-23-18(13-15)4-8-19-9-5-18;;/h15,19H,1-14H2,(H,20,22);2*1H
InChIKeyGLUWEOOGNGOTMC-UHFFFAOYSA-N
XLogP2.12
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.39
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(1-oxa-9-azaspiro[5.5]undecan-4-yl)-2,9-diazaspiro[5.5]undecan-3-one;dihydrochloride?
The IUPAC name of 9-(1-oxa-9-azaspiro[5.5]undecan-4-yl)-2,9-diazaspiro[5.5]undecan-3-one;dihydrochloride (CID 154920877) is 9-(1-oxa-9-azaspiro[5.5]undecan-4-yl)-2,9-diazaspiro[5.5]undecan-3-one;dihydrochloride.
What is the SMILES notation for 9-(1-oxa-9-azaspiro[5.5]undecan-4-yl)-2,9-diazaspiro[5.5]undecan-3-one;dihydrochloride?
The canonical SMILES for 9-(1-oxa-9-azaspiro[5.5]undecan-4-yl)-2,9-diazaspiro[5.5]undecan-3-one;dihydrochloride is Cl.Cl.O=C1CCC2(CCN(C3CCOC4(CCNCC4)C3)CC2)CN1.
What is the InChIKey of 9-(1-oxa-9-azaspiro[5.5]undecan-4-yl)-2,9-diazaspiro[5.5]undecan-3-one;dihydrochloride?
The InChIKey is GLUWEOOGNGOTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O2.2ClH/c22-16-1-3-17(14-20-16)6-10-21(11-7-17)15-2-12-23-18(13-15)4-8-19-9-5-18;;/h15,19H,1-14H2,(H,20,22);2*1H.
What are the key properties of 9-(1-oxa-9-azaspiro[5.5]undecan-4-yl)-2,9-diazaspiro[5.5]undecan-3-one;dihydrochloride?
9-(1-oxa-9-azaspiro[5.5]undecan-4-yl)-2,9-diazaspiro[5.5]undecan-3-one;dihydrochloride has a molecular weight of 394.39 g/mol, XLogP of 2.12, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-oxa-9-azaspiro[5.5]undecan-4-yl)-2,9-diazaspiro[5.5]undecan-3-one;dihydrochloride is sourced from PubChem (CID 154920877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).