1-(4-piperidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-thiophen-3-ylethanone

C20H30N2O2S — CID 91908263

IUPAC1-(4-piperidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)N1CCC2(CC1)CC(N1CCCCC1)CCO2
InChIInChI=1S/C20H30N2O2S/c23-19(14-17-5-13-25-16-17)22-10-6-20(7-11-22)15-18(4-12-24-20)21-8-2-1-3-9-21/h5,13,16,18H,1-4,6-12,14-15H2
InChIKeyJDNCPBZOPSHKRT-UHFFFAOYSA-N
MW362.54 g/mol
LogP3.32
Rot. Bonds3

About 1-(4-piperidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-thiophen-3-ylethanone

1-(4-piperidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-thiophen-3-ylethanone (PubChem CID 91908263) has the molecular formula C20H30N2O2S and a molecular weight of 362.54 g/mol. Its IUPAC name is 1-(4-piperidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-(4-piperidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-thiophen-3-ylethanone
PubChem CID91908263
Molecular FormulaC20H30N2O2S
Molecular Weight362.54 g/mol
Exact Mass362.20
IUPAC Name1-(4-piperidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)N1CCC2(CC1)CC(N1CCCCC1)CCO2
InChIInChI=1S/C20H30N2O2S/c23-19(14-17-5-13-25-16-17)22-10-6-20(7-11-22)15-18(4-12-24-20)21-8-2-1-3-9-21/h5,13,16,18H,1-4,6-12,14-15H2
InChIKeyJDNCPBZOPSHKRT-UHFFFAOYSA-N
XLogP3.32
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.54
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-piperidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-thiophen-3-ylethanone?
The IUPAC name of 1-(4-piperidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-thiophen-3-ylethanone (CID 91908263) is 1-(4-piperidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-(4-piperidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-thiophen-3-ylethanone?
The canonical SMILES for 1-(4-piperidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-thiophen-3-ylethanone is O=C(Cc1ccsc1)N1CCC2(CC1)CC(N1CCCCC1)CCO2.
What is the InChIKey of 1-(4-piperidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-thiophen-3-ylethanone?
The InChIKey is JDNCPBZOPSHKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2S/c23-19(14-17-5-13-25-16-17)22-10-6-20(7-11-22)15-18(4-12-24-20)21-8-2-1-3-9-21/h5,13,16,18H,1-4,6-12,14-15H2.
What are the key properties of 1-(4-piperidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-thiophen-3-ylethanone?
1-(4-piperidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-thiophen-3-ylethanone has a molecular weight of 362.54 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-piperidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-thiophen-3-ylethanone is sourced from PubChem (CID 91908263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).