2-methyl-1-[2-[(5-propyl-2-oxa-5,8-diazaspiro[3.5]nonan-8-yl)methyl]-7-azaspiro[3.5]nonan-7-yl]propan-1-one

C22H39N3O2 — CID 176559588

IUPAC2-methyl-1-[2-[(5-propyl-2-oxa-5,8-diazaspiro[3.5]nonan-8-yl)methyl]-7-azaspiro[3.5]nonan-7-yl]propan-1-one
SMILESCCCN1CCN(CC2CC3(CCN(C(=O)C(C)C)CC3)C2)CC12COC2
InChIInChI=1S/C22H39N3O2/c1-4-7-25-11-10-23(15-22(25)16-27-17-22)14-19-12-21(13-19)5-8-24(9-6-21)20(26)18(2)3/h18-19H,4-17H2,1-3H3
InChIKeyJAEWOBKKSFXTLD-UHFFFAOYSA-N
MW377.57 g/mol
LogP2.46
Rot. Bonds5

About 2-methyl-1-[2-[(5-propyl-2-oxa-5,8-diazaspiro[3.5]nonan-8-yl)methyl]-7-azaspiro[3.5]nonan-7-yl]propan-1-one

2-methyl-1-[2-[(5-propyl-2-oxa-5,8-diazaspiro[3.5]nonan-8-yl)methyl]-7-azaspiro[3.5]nonan-7-yl]propan-1-one (PubChem CID 176559588) has the molecular formula C22H39N3O2 and a molecular weight of 377.57 g/mol. Its IUPAC name is 2-methyl-1-[2-[(5-propyl-2-oxa-5,8-diazaspiro[3.5]nonan-8-yl)methyl]-7-azaspiro[3.5]nonan-7-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[2-[(5-propyl-2-oxa-5,8-diazaspiro[3.5]nonan-8-yl)methyl]-7-azaspiro[3.5]nonan-7-yl]propan-1-one
PubChem CID176559588
Molecular FormulaC22H39N3O2
Molecular Weight377.57 g/mol
Exact Mass377.30
IUPAC Name2-methyl-1-[2-[(5-propyl-2-oxa-5,8-diazaspiro[3.5]nonan-8-yl)methyl]-7-azaspiro[3.5]nonan-7-yl]propan-1-one
SMILESCCCN1CCN(CC2CC3(CCN(C(=O)C(C)C)CC3)C2)CC12COC2
InChIInChI=1S/C22H39N3O2/c1-4-7-25-11-10-23(15-22(25)16-27-17-22)14-19-12-21(13-19)5-8-24(9-6-21)20(26)18(2)3/h18-19H,4-17H2,1-3H3
InChIKeyJAEWOBKKSFXTLD-UHFFFAOYSA-N
XLogP2.46
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.57
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-[(5-propyl-2-oxa-5,8-diazaspiro[3.5]nonan-8-yl)methyl]-7-azaspiro[3.5]nonan-7-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[2-[(5-propyl-2-oxa-5,8-diazaspiro[3.5]nonan-8-yl)methyl]-7-azaspiro[3.5]nonan-7-yl]propan-1-one (CID 176559588) is 2-methyl-1-[2-[(5-propyl-2-oxa-5,8-diazaspiro[3.5]nonan-8-yl)methyl]-7-azaspiro[3.5]nonan-7-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[2-[(5-propyl-2-oxa-5,8-diazaspiro[3.5]nonan-8-yl)methyl]-7-azaspiro[3.5]nonan-7-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[2-[(5-propyl-2-oxa-5,8-diazaspiro[3.5]nonan-8-yl)methyl]-7-azaspiro[3.5]nonan-7-yl]propan-1-one is CCCN1CCN(CC2CC3(CCN(C(=O)C(C)C)CC3)C2)CC12COC2.
What is the InChIKey of 2-methyl-1-[2-[(5-propyl-2-oxa-5,8-diazaspiro[3.5]nonan-8-yl)methyl]-7-azaspiro[3.5]nonan-7-yl]propan-1-one?
The InChIKey is JAEWOBKKSFXTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39N3O2/c1-4-7-25-11-10-23(15-22(25)16-27-17-22)14-19-12-21(13-19)5-8-24(9-6-21)20(26)18(2)3/h18-19H,4-17H2,1-3H3.
What are the key properties of 2-methyl-1-[2-[(5-propyl-2-oxa-5,8-diazaspiro[3.5]nonan-8-yl)methyl]-7-azaspiro[3.5]nonan-7-yl]propan-1-one?
2-methyl-1-[2-[(5-propyl-2-oxa-5,8-diazaspiro[3.5]nonan-8-yl)methyl]-7-azaspiro[3.5]nonan-7-yl]propan-1-one has a molecular weight of 377.57 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-[(5-propyl-2-oxa-5,8-diazaspiro[3.5]nonan-8-yl)methyl]-7-azaspiro[3.5]nonan-7-yl]propan-1-one is sourced from PubChem (CID 176559588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).