[(5R,9R)-2-[(6-methoxy-2-pyridinyl)methyl]-2-azaspiro[4.4]nonan-9-yl]-pyrrolidin-1-ylmethanone

C20H29N3O2 — CID 124797033

IUPAC[(5R,9R)-2-[(6-methoxy-2-pyridinyl)methyl]-2-azaspiro[4.4]nonan-9-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1cccc(CN2CC[C@@]3(CCC[C@H]3C(=O)N3CCCC3)C2)n1
InChIInChI=1S/C20H29N3O2/c1-25-18-8-4-6-16(21-18)14-22-13-10-20(15-22)9-5-7-17(20)19(24)23-11-2-3-12-23/h4,6,8,17H,2-3,5,7,9-15H2,1H3/t17-,20-/m0/s1
InChIKeyCAWRHIMPIGMXPX-PXNSSMCTSA-N
MW343.47 g/mol
LogP2.70
Rot. Bonds4

About [(5R,9R)-2-[(6-methoxy-2-pyridinyl)methyl]-2-azaspiro[4.4]nonan-9-yl]-pyrrolidin-1-ylmethanone

[(5R,9R)-2-[(6-methoxy-2-pyridinyl)methyl]-2-azaspiro[4.4]nonan-9-yl]-pyrrolidin-1-ylmethanone (PubChem CID 124797033) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is [(5R,9R)-2-[(6-methoxy-2-pyridinyl)methyl]-2-azaspiro[4.4]nonan-9-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(5R,9R)-2-[(6-methoxy-2-pyridinyl)methyl]-2-azaspiro[4.4]nonan-9-yl]-pyrrolidin-1-ylmethanone
PubChem CID124797033
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name[(5R,9R)-2-[(6-methoxy-2-pyridinyl)methyl]-2-azaspiro[4.4]nonan-9-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1cccc(CN2CC[C@@]3(CCC[C@H]3C(=O)N3CCCC3)C2)n1
InChIInChI=1S/C20H29N3O2/c1-25-18-8-4-6-16(21-18)14-22-13-10-20(15-22)9-5-7-17(20)19(24)23-11-2-3-12-23/h4,6,8,17H,2-3,5,7,9-15H2,1H3/t17-,20-/m0/s1
InChIKeyCAWRHIMPIGMXPX-PXNSSMCTSA-N
XLogP2.70
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(5R,9R)-2-[(6-methoxy-2-pyridinyl)methyl]-2-azaspiro[4.4]nonan-9-yl]-pyrrolidin-1-ylmethanone with MolForge

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Related Compounds

[(5R,9R)-2-[(6-methyl-2-pyridinyl)methyl]-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone
CID 98895994
(4R,5R)-7-[(6-methoxy-2-pyridinyl)methyl]-7-azaspiro[4.5]decan-4-ol
CID 165425706
[2-[(6-methyl-2-pyridinyl)methyl]-2-azaspiro[4.4]nonan-9-yl]-(oxazinan-2-yl)methanone
CID 131640587
[(5R,9S)-2-[(6-methyl-2-pyridinyl)methyl]-2-azaspiro[4.4]nonan-9-yl]-(oxazinan-2-yl)methanone
CID 98896012
ethyl 1-[(6-methoxy-2-pyridinyl)methyl]piperidine-4-carboxylate
CID 63984544
2-methoxy-6-(piperidin-1-ylmethyl)pyridine
CID 70652671
[(5R,9S)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone
CID 98895050
1-[(6-methoxy-2-pyridinyl)methyl]-4-propylpiperidine-4-carboxylic acid
CID 63987109
morpholin-4-yl-[2-(pyridin-4-ylmethyl)-2-azaspiro[4.4]nonan-9-yl]methanone
CID 131697489
morpholin-4-yl-[(5R,9R)-2-(pyridin-3-ylmethyl)-2-azaspiro[4.4]nonan-9-yl]methanone
CID 124787358
[(5S,9S)-2-[(2-methylpyrazol-3-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone
CID 98897335
(3,3-difluoroazetidin-1-yl)-[(5S,9S)-2-[(2-methyl-1H-imidazol-5-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]methanone
CID 98894808

Frequently Asked Questions

What is the IUPAC name of [(5R,9R)-2-[(6-methoxy-2-pyridinyl)methyl]-2-azaspiro[4.4]nonan-9-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(5R,9R)-2-[(6-methoxy-2-pyridinyl)methyl]-2-azaspiro[4.4]nonan-9-yl]-pyrrolidin-1-ylmethanone (CID 124797033) is [(5R,9R)-2-[(6-methoxy-2-pyridinyl)methyl]-2-azaspiro[4.4]nonan-9-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(5R,9R)-2-[(6-methoxy-2-pyridinyl)methyl]-2-azaspiro[4.4]nonan-9-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(5R,9R)-2-[(6-methoxy-2-pyridinyl)methyl]-2-azaspiro[4.4]nonan-9-yl]-pyrrolidin-1-ylmethanone is COc1cccc(CN2CC[C@@]3(CCC[C@H]3C(=O)N3CCCC3)C2)n1.
What is the InChIKey of [(5R,9R)-2-[(6-methoxy-2-pyridinyl)methyl]-2-azaspiro[4.4]nonan-9-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is CAWRHIMPIGMXPX-PXNSSMCTSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-25-18-8-4-6-16(21-18)14-22-13-10-20(15-22)9-5-7-17(20)19(24)23-11-2-3-12-23/h4,6,8,17H,2-3,5,7,9-15H2,1H3/t17-,20-/m0/s1.
What are the key properties of [(5R,9R)-2-[(6-methoxy-2-pyridinyl)methyl]-2-azaspiro[4.4]nonan-9-yl]-pyrrolidin-1-ylmethanone?
[(5R,9R)-2-[(6-methoxy-2-pyridinyl)methyl]-2-azaspiro[4.4]nonan-9-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 343.47 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R,9R)-2-[(6-methoxy-2-pyridinyl)methyl]-2-azaspiro[4.4]nonan-9-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 124797033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).