N-methyl-N-(pyridin-4-ylmethyl)-8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine

C20H27N3OS — CID 118747230

IUPACN-methyl-N-(pyridin-4-ylmethyl)-8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESCN(Cc1ccncc1)C1COC2(CCN(Cc3ccsc3)CC2)C1
InChIInChI=1S/C20H27N3OS/c1-22(13-17-2-7-21-8-3-17)19-12-20(24-15-19)5-9-23(10-6-20)14-18-4-11-25-16-18/h2-4,7-8,11,16,19H,5-6,9-10,12-15H2,1H3
InChIKeyZSEFMFNQHRMMOY-UHFFFAOYSA-N
MW357.52 g/mol
LogP3.40
Rot. Bonds5

About N-methyl-N-(pyridin-4-ylmethyl)-8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine

N-methyl-N-(pyridin-4-ylmethyl)-8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine (PubChem CID 118747230) has the molecular formula C20H27N3OS and a molecular weight of 357.52 g/mol. Its IUPAC name is N-methyl-N-(pyridin-4-ylmethyl)-8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine.

Molecular Properties

Compound NameN-methyl-N-(pyridin-4-ylmethyl)-8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine
PubChem CID118747230
Molecular FormulaC20H27N3OS
Molecular Weight357.52 g/mol
Exact Mass357.19
IUPAC NameN-methyl-N-(pyridin-4-ylmethyl)-8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESCN(Cc1ccncc1)C1COC2(CCN(Cc3ccsc3)CC2)C1
InChIInChI=1S/C20H27N3OS/c1-22(13-17-2-7-21-8-3-17)19-12-20(24-15-19)5-9-23(10-6-20)14-18-4-11-25-16-18/h2-4,7-8,11,16,19H,5-6,9-10,12-15H2,1H3
InChIKeyZSEFMFNQHRMMOY-UHFFFAOYSA-N
XLogP3.40
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(pyridin-4-ylmethyl)-8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine?
The IUPAC name of N-methyl-N-(pyridin-4-ylmethyl)-8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine (CID 118747230) is N-methyl-N-(pyridin-4-ylmethyl)-8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine.
What is the SMILES notation for N-methyl-N-(pyridin-4-ylmethyl)-8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine?
The canonical SMILES for N-methyl-N-(pyridin-4-ylmethyl)-8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine is CN(Cc1ccncc1)C1COC2(CCN(Cc3ccsc3)CC2)C1.
What is the InChIKey of N-methyl-N-(pyridin-4-ylmethyl)-8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine?
The InChIKey is ZSEFMFNQHRMMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3OS/c1-22(13-17-2-7-21-8-3-17)19-12-20(24-15-19)5-9-23(10-6-20)14-18-4-11-25-16-18/h2-4,7-8,11,16,19H,5-6,9-10,12-15H2,1H3.
What are the key properties of N-methyl-N-(pyridin-4-ylmethyl)-8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine?
N-methyl-N-(pyridin-4-ylmethyl)-8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine has a molecular weight of 357.52 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(pyridin-4-ylmethyl)-8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine is sourced from PubChem (CID 118747230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).