1-[4-(4-acetylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-cyclopentylethanone

C22H37N3O3 — CID 91924298

IUPAC1-[4-(4-acetylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-cyclopentylethanone
SMILESCC(=O)N1CCN(C2CCOC3(CCN(C(=O)CC4CCCC4)CC3)C2)CC1
InChIInChI=1S/C22H37N3O3/c1-18(26)23-11-13-24(14-12-23)20-6-15-28-22(17-20)7-9-25(10-8-22)21(27)16-19-4-2-3-5-19/h19-20H,2-17H2,1H3
InChIKeyMAKFEFDZLPECQB-UHFFFAOYSA-N
MW391.56 g/mol
LogP2.27
Rot. Bonds3

About 1-[4-(4-acetylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-cyclopentylethanone

1-[4-(4-acetylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-cyclopentylethanone (PubChem CID 91924298) has the molecular formula C22H37N3O3 and a molecular weight of 391.56 g/mol. Its IUPAC name is 1-[4-(4-acetylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-cyclopentylethanone.

Molecular Properties

Compound Name1-[4-(4-acetylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-cyclopentylethanone
PubChem CID91924298
Molecular FormulaC22H37N3O3
Molecular Weight391.56 g/mol
Exact Mass391.28
IUPAC Name1-[4-(4-acetylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-cyclopentylethanone
SMILESCC(=O)N1CCN(C2CCOC3(CCN(C(=O)CC4CCCC4)CC3)C2)CC1
InChIInChI=1S/C22H37N3O3/c1-18(26)23-11-13-24(14-12-23)20-6-15-28-22(17-20)7-9-25(10-8-22)21(27)16-19-4-2-3-5-19/h19-20H,2-17H2,1H3
InChIKeyMAKFEFDZLPECQB-UHFFFAOYSA-N
XLogP2.27
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.56
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-acetylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-cyclopentylethanone?
The IUPAC name of 1-[4-(4-acetylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-cyclopentylethanone (CID 91924298) is 1-[4-(4-acetylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-cyclopentylethanone.
What is the SMILES notation for 1-[4-(4-acetylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-cyclopentylethanone?
The canonical SMILES for 1-[4-(4-acetylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-cyclopentylethanone is CC(=O)N1CCN(C2CCOC3(CCN(C(=O)CC4CCCC4)CC3)C2)CC1.
What is the InChIKey of 1-[4-(4-acetylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-cyclopentylethanone?
The InChIKey is MAKFEFDZLPECQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N3O3/c1-18(26)23-11-13-24(14-12-23)20-6-15-28-22(17-20)7-9-25(10-8-22)21(27)16-19-4-2-3-5-19/h19-20H,2-17H2,1H3.
What are the key properties of 1-[4-(4-acetylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-cyclopentylethanone?
1-[4-(4-acetylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-cyclopentylethanone has a molecular weight of 391.56 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-acetylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-cyclopentylethanone is sourced from PubChem (CID 91924298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).