N-cyclopentyl-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane-8-carboxamide

C19H27N3O3 — CID 118741127

IUPACN-cyclopentyl-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane-8-carboxamide
SMILESO=C(NC1CCCC1)N1CCC2(CC1)CC(Oc1cccnc1)CO2
InChIInChI=1S/C19H27N3O3/c23-18(21-15-4-1-2-5-15)22-10-7-19(8-11-22)12-17(14-24-19)25-16-6-3-9-20-13-16/h3,6,9,13,15,17H,1-2,4-5,7-8,10-12,14H2,(H,21,23)
InChIKeyXFYHUQCAZKOCBH-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.74
Rot. Bonds3

About N-cyclopentyl-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane-8-carboxamide

N-cyclopentyl-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane-8-carboxamide (PubChem CID 118741127) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-cyclopentyl-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane-8-carboxamide
PubChem CID118741127
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-cyclopentyl-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane-8-carboxamide
SMILESO=C(NC1CCCC1)N1CCC2(CC1)CC(Oc1cccnc1)CO2
InChIInChI=1S/C19H27N3O3/c23-18(21-15-4-1-2-5-15)22-10-7-19(8-11-22)12-17(14-24-19)25-16-6-3-9-20-13-16/h3,6,9,13,15,17H,1-2,4-5,7-8,10-12,14H2,(H,21,23)
InChIKeyXFYHUQCAZKOCBH-UHFFFAOYSA-N
XLogP2.74
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-cyclopentyl-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane-8-carboxamide (CID 118741127) is N-cyclopentyl-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-cyclopentyl-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-cyclopentyl-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane-8-carboxamide is O=C(NC1CCCC1)N1CCC2(CC1)CC(Oc1cccnc1)CO2.
What is the InChIKey of N-cyclopentyl-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane-8-carboxamide?
The InChIKey is XFYHUQCAZKOCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c23-18(21-15-4-1-2-5-15)22-10-7-19(8-11-22)12-17(14-24-19)25-16-6-3-9-20-13-16/h3,6,9,13,15,17H,1-2,4-5,7-8,10-12,14H2,(H,21,23).
What are the key properties of N-cyclopentyl-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane-8-carboxamide?
N-cyclopentyl-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane-8-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 118741127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).