(1R,5S)-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methyl-2,6-dioxa-9-azaspiro[4.5]decane

C17H26N2O3 — CID 125140287

IUPAC(1R,5S)-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methyl-2,6-dioxa-9-azaspiro[4.5]decane
SMILESCOc1c(C)cnc(CN2CCO[C@@]3(CCO[C@@H]3C)C2)c1C
InChIInChI=1S/C17H26N2O3/c1-12-9-18-15(13(2)16(12)20-4)10-19-6-8-22-17(11-19)5-7-21-14(17)3/h9,14H,5-8,10-11H2,1-4H3/t14-,17+/m1/s1
InChIKeyMXHSNYYHDFQBLE-PBHICJAKSA-N
MW306.41 g/mol
LogP2.09
Rot. Bonds3

About (1R,5S)-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methyl-2,6-dioxa-9-azaspiro[4.5]decane

(1R,5S)-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methyl-2,6-dioxa-9-azaspiro[4.5]decane (PubChem CID 125140287) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is (1R,5S)-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methyl-2,6-dioxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name(1R,5S)-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methyl-2,6-dioxa-9-azaspiro[4.5]decane
PubChem CID125140287
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name(1R,5S)-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methyl-2,6-dioxa-9-azaspiro[4.5]decane
SMILESCOc1c(C)cnc(CN2CCO[C@@]3(CCO[C@@H]3C)C2)c1C
InChIInChI=1S/C17H26N2O3/c1-12-9-18-15(13(2)16(12)20-4)10-19-6-8-22-17(11-19)5-7-21-14(17)3/h9,14H,5-8,10-11H2,1-4H3/t14-,17+/m1/s1
InChIKeyMXHSNYYHDFQBLE-PBHICJAKSA-N
XLogP2.09
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1R,5S)-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methyl-2,6-dioxa-9-azaspiro[4.5]decane with MolForge

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Related Compounds

4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]morpholine
CID 171130228
4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]morpholine-2-carbonitrile
CID 112734139
2,2-difluoro-5-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-azaspiro[2.5]octane
CID 175648224
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,4-dimethylpiperidin-4-amine
CID 115304899
3-amino-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidine-3-carboxylic acid
CID 107324759
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-ol
CID 62021333
(5S)-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95727661
methyl 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidine-4-carboxylate
CID 62025945
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-methylpiperidin-4-ol
CID 114502552
1-(2-chloroethyl)-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperazine
CID 63387078
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 119917723
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidine-3-carboxylic acid
CID 63032394

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methyl-2,6-dioxa-9-azaspiro[4.5]decane?
The IUPAC name of (1R,5S)-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methyl-2,6-dioxa-9-azaspiro[4.5]decane (CID 125140287) is (1R,5S)-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methyl-2,6-dioxa-9-azaspiro[4.5]decane.
What is the SMILES notation for (1R,5S)-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methyl-2,6-dioxa-9-azaspiro[4.5]decane?
The canonical SMILES for (1R,5S)-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methyl-2,6-dioxa-9-azaspiro[4.5]decane is COc1c(C)cnc(CN2CCO[C@@]3(CCO[C@@H]3C)C2)c1C.
What is the InChIKey of (1R,5S)-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methyl-2,6-dioxa-9-azaspiro[4.5]decane?
The InChIKey is MXHSNYYHDFQBLE-PBHICJAKSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-12-9-18-15(13(2)16(12)20-4)10-19-6-8-22-17(11-19)5-7-21-14(17)3/h9,14H,5-8,10-11H2,1-4H3/t14-,17+/m1/s1.
What are the key properties of (1R,5S)-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methyl-2,6-dioxa-9-azaspiro[4.5]decane?
(1R,5S)-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methyl-2,6-dioxa-9-azaspiro[4.5]decane has a molecular weight of 306.41 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methyl-2,6-dioxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 125140287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).