2-(5-cyclopentyloxy-3-pyridinyl)-2,7-diazaspiro[4.4]nonane;2-(5-methoxy-3-pyridinyl)-2,7-diazaspiro[4.4]nonane;2-(5-phenoxy-3-pyridinyl)-2,7-diazaspiro[4.4]nonane

C48H65N9O3 — CID 158108658

IUPAC2-(5-cyclopentyloxy-3-pyridinyl)-2,7-diazaspiro[4.4]nonane;2-(5-methoxy-3-pyridinyl)-2,7-diazaspiro[4.4]nonane;2-(5-phenoxy-3-pyridinyl)-2,7-diazaspiro[4.4]nonane
SMILESCOc1cncc(N2CCC3(CCNC3)C2)c1.c1ccc(Oc2cncc(N3CCC4(CCNC4)C3)c2)cc1.c1ncc(N2CCC3(CCNC3)C2)cc1OC1CCCC1
InChIInChI=1S/C18H21N3O.C17H25N3O.C13H19N3O/c1-2-4-16(5-3-1)22-17-10-15(11-20-12-17)21-9-7-18(14-21)6-8-19-13-18;1-2-4-15(3-1)21-16-9-14(10-19-11-16)20-8-6-17(13-20)5-7-18-12-17;1-17-12-6-11(7-15-8-12)16-5-3-13(10-16)2-4-14-9-13/h1-5,10-12,19H,6-9,13-14H2;9-11,15,18H,1-8,12-13H2;6-8,14H,2-5,9-10H2,1H3
InChIKeyFQDMZLQNGYFBKW-UHFFFAOYSA-N
MW816.11 g/mol
LogP6.94
Rot. Bonds8

About 2-(5-cyclopentyloxy-3-pyridinyl)-2,7-diazaspiro[4.4]nonane;2-(5-methoxy-3-pyridinyl)-2,7-diazaspiro[4.4]nonane;2-(5-phenoxy-3-pyridinyl)-2,7-diazaspiro[4.4]nonane

2-(5-cyclopentyloxy-3-pyridinyl)-2,7-diazaspiro[4.4]nonane;2-(5-methoxy-3-pyridinyl)-2,7-diazaspiro[4.4]nonane;2-(5-phenoxy-3-pyridinyl)-2,7-diazaspiro[4.4]nonane (PubChem CID 158108658) has the molecular formula C48H65N9O3 and a molecular weight of 816.11 g/mol. Its IUPAC name is 2-(5-cyclopentyloxy-3-pyridinyl)-2,7-diazaspiro[4.4]nonane;2-(5-methoxy-3-pyridinyl)-2,7-diazaspiro[4.4]nonane;2-(5-phenoxy-3-pyridinyl)-2,7-diazaspiro[4.4]nonane.

Molecular Properties

Compound Name2-(5-cyclopentyloxy-3-pyridinyl)-2,7-diazaspiro[4.4]nonane;2-(5-methoxy-3-pyridinyl)-2,7-diazaspiro[4.4]nonane;2-(5-phenoxy-3-pyridinyl)-2,7-diazaspiro[4.4]nonane
PubChem CID158108658
Molecular FormulaC48H65N9O3
Molecular Weight816.11 g/mol
Exact Mass815.52
IUPAC Name2-(5-cyclopentyloxy-3-pyridinyl)-2,7-diazaspiro[4.4]nonane;2-(5-methoxy-3-pyridinyl)-2,7-diazaspiro[4.4]nonane;2-(5-phenoxy-3-pyridinyl)-2,7-diazaspiro[4.4]nonane
SMILESCOc1cncc(N2CCC3(CCNC3)C2)c1.c1ccc(Oc2cncc(N3CCC4(CCNC4)C3)c2)cc1.c1ncc(N2CCC3(CCNC3)C2)cc1OC1CCCC1
InChIInChI=1S/C18H21N3O.C17H25N3O.C13H19N3O/c1-2-4-16(5-3-1)22-17-10-15(11-20-12-17)21-9-7-18(14-21)6-8-19-13-18;1-2-4-15(3-1)21-16-9-14(10-19-11-16)20-8-6-17(13-20)5-7-18-12-17;1-17-12-6-11(7-15-8-12)16-5-3-13(10-16)2-4-14-9-13/h1-5,10-12,19H,6-9,13-14H2;9-11,15,18H,1-8,12-13H2;6-8,14H,2-5,9-10H2,1H3
InChIKeyFQDMZLQNGYFBKW-UHFFFAOYSA-N
XLogP6.94
TPSA112.17 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500816.11
LogP ≤ 56.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 2-(5-cyclopentyloxy-3-pyridinyl)-2,7-diazaspiro[4.4]nonane;2-(5-methoxy-3-pyridinyl)-2,7-diazaspiro[4.4]nonane;2-(5-phenoxy-3-pyridinyl)-2,7-diazaspiro[4.4]nonane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclopentyloxy-3-pyridinyl)-2,7-diazaspiro[4.4]nonane;2-(5-methoxy-3-pyridinyl)-2,7-diazaspiro[4.4]nonane;2-(5-phenoxy-3-pyridinyl)-2,7-diazaspiro[4.4]nonane?
The IUPAC name of 2-(5-cyclopentyloxy-3-pyridinyl)-2,7-diazaspiro[4.4]nonane;2-(5-methoxy-3-pyridinyl)-2,7-diazaspiro[4.4]nonane;2-(5-phenoxy-3-pyridinyl)-2,7-diazaspiro[4.4]nonane (CID 158108658) is 2-(5-cyclopentyloxy-3-pyridinyl)-2,7-diazaspiro[4.4]nonane;2-(5-methoxy-3-pyridinyl)-2,7-diazaspiro[4.4]nonane;2-(5-phenoxy-3-pyridinyl)-2,7-diazaspiro[4.4]nonane.
What is the SMILES notation for 2-(5-cyclopentyloxy-3-pyridinyl)-2,7-diazaspiro[4.4]nonane;2-(5-methoxy-3-pyridinyl)-2,7-diazaspiro[4.4]nonane;2-(5-phenoxy-3-pyridinyl)-2,7-diazaspiro[4.4]nonane?
The canonical SMILES for 2-(5-cyclopentyloxy-3-pyridinyl)-2,7-diazaspiro[4.4]nonane;2-(5-methoxy-3-pyridinyl)-2,7-diazaspiro[4.4]nonane;2-(5-phenoxy-3-pyridinyl)-2,7-diazaspiro[4.4]nonane is COc1cncc(N2CCC3(CCNC3)C2)c1.c1ccc(Oc2cncc(N3CCC4(CCNC4)C3)c2)cc1.c1ncc(N2CCC3(CCNC3)C2)cc1OC1CCCC1.
What is the InChIKey of 2-(5-cyclopentyloxy-3-pyridinyl)-2,7-diazaspiro[4.4]nonane;2-(5-methoxy-3-pyridinyl)-2,7-diazaspiro[4.4]nonane;2-(5-phenoxy-3-pyridinyl)-2,7-diazaspiro[4.4]nonane?
The InChIKey is FQDMZLQNGYFBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O.C17H25N3O.C13H19N3O/c1-2-4-16(5-3-1)22-17-10-15(11-20-12-17)21-9-7-18(14-21)6-8-19-13-18;1-2-4-15(3-1)21-16-9-14(10-19-11-16)20-8-6-17(13-20)5-7-18-12-17;1-17-12-6-11(7-15-8-12)16-5-3-13(10-16)2-4-14-9-13/h1-5,10-12,19H,6-9,13-14H2;9-11,15,18H,1-8,12-13H2;6-8,14H,2-5,9-10H2,1H3.
What are the key properties of 2-(5-cyclopentyloxy-3-pyridinyl)-2,7-diazaspiro[4.4]nonane;2-(5-methoxy-3-pyridinyl)-2,7-diazaspiro[4.4]nonane;2-(5-phenoxy-3-pyridinyl)-2,7-diazaspiro[4.4]nonane?
2-(5-cyclopentyloxy-3-pyridinyl)-2,7-diazaspiro[4.4]nonane;2-(5-methoxy-3-pyridinyl)-2,7-diazaspiro[4.4]nonane;2-(5-phenoxy-3-pyridinyl)-2,7-diazaspiro[4.4]nonane has a molecular weight of 816.11 g/mol, XLogP of 6.94, 8 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclopentyloxy-3-pyridinyl)-2,7-diazaspiro[4.4]nonane;2-(5-methoxy-3-pyridinyl)-2,7-diazaspiro[4.4]nonane;2-(5-phenoxy-3-pyridinyl)-2,7-diazaspiro[4.4]nonane is sourced from PubChem (CID 158108658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).