N-methyl-N-(pyridin-4-ylmethyl)-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine

C20H27N3OS — CID 118747068

IUPACN-methyl-N-(pyridin-4-ylmethyl)-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESCN(Cc1ccncc1)C1COC2(CCN(Cc3cccs3)CC2)C1
InChIInChI=1S/C20H27N3OS/c1-22(14-17-4-8-21-9-5-17)18-13-20(24-16-18)6-10-23(11-7-20)15-19-3-2-12-25-19/h2-5,8-9,12,18H,6-7,10-11,13-16H2,1H3
InChIKeyFLDVUBKCBKMQGF-UHFFFAOYSA-N
MW357.52 g/mol
LogP3.40
Rot. Bonds5

About N-methyl-N-(pyridin-4-ylmethyl)-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine

N-methyl-N-(pyridin-4-ylmethyl)-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine (PubChem CID 118747068) 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-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine.

Molecular Properties

Compound NameN-methyl-N-(pyridin-4-ylmethyl)-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine
PubChem CID118747068
Molecular FormulaC20H27N3OS
Molecular Weight357.52 g/mol
Exact Mass357.19
IUPAC NameN-methyl-N-(pyridin-4-ylmethyl)-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESCN(Cc1ccncc1)C1COC2(CCN(Cc3cccs3)CC2)C1
InChIInChI=1S/C20H27N3OS/c1-22(14-17-4-8-21-9-5-17)18-13-20(24-16-18)6-10-23(11-7-20)15-19-3-2-12-25-19/h2-5,8-9,12,18H,6-7,10-11,13-16H2,1H3
InChIKeyFLDVUBKCBKMQGF-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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Related Compounds

2-(1-Benzyl-4-ethoxypiperidin-4-yl)-5-pyridin-4-yl-1,3-thiazole
CID 162664148
2-(1-Benzyl-4-ethoxypiperidin-4-yl)-5-pyridin-3-yl-1,3-thiazole
CID 162676326
(2-Methoxyethyl)[(3-methyl-2-thienyl)methyl](pyridin-2-ylmethyl)amine
CID 46996886
1-methyl-N-[(5-methyl-2-thienyl)methyl]-N-(4-pyridinylmethyl)-4-piperidinamine
CID 56893082
N-methyl-2-morpholin-4-yl-N-(pyridin-4-ylmethyl)-2-thiophen-2-ylethanamine
CID 72126045
2-(5-methylthiophen-2-yl)-2-morpholin-4-yl-N-(pyridin-4-ylmethyl)ethanamine
CID 72141235
2-(5-methylthiophen-2-yl)-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)ethanamine
CID 72142273
(4aR,7aR)-4-(pyridin-4-ylmethyl)-6-(thiophen-2-ylmethyl)-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one
CID 97377360
(4aR,7aR)-4-(pyridin-4-ylmethyl)-6-(thiophen-3-ylmethyl)-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one
CID 97377361
4-[[(2S,3S)-3-methoxy-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]pyridine
CID 97392032
(5aS,8aS)-7-[(3-methylthiophen-2-yl)methyl]-4-(pyridin-3-ylmethyl)-3,5,5a,6,8,8a-hexahydro-2H-pyrrolo[3,4-f][1,4]oxazepine
CID 97420355
(4R,4aS,7aS)-4-methoxy-6-(pyridin-4-ylmethyl)-1-(thiophen-2-ylmethyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine
CID 97420811

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(pyridin-4-ylmethyl)-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine?
The IUPAC name of N-methyl-N-(pyridin-4-ylmethyl)-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine (CID 118747068) is N-methyl-N-(pyridin-4-ylmethyl)-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine.
What is the SMILES notation for N-methyl-N-(pyridin-4-ylmethyl)-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine?
The canonical SMILES for N-methyl-N-(pyridin-4-ylmethyl)-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine is CN(Cc1ccncc1)C1COC2(CCN(Cc3cccs3)CC2)C1.
What is the InChIKey of N-methyl-N-(pyridin-4-ylmethyl)-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine?
The InChIKey is FLDVUBKCBKMQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3OS/c1-22(14-17-4-8-21-9-5-17)18-13-20(24-16-18)6-10-23(11-7-20)15-19-3-2-12-25-19/h2-5,8-9,12,18H,6-7,10-11,13-16H2,1H3.
What are the key properties of N-methyl-N-(pyridin-4-ylmethyl)-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine?
N-methyl-N-(pyridin-4-ylmethyl)-8-(thiophen-2-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-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine is sourced from PubChem (CID 118747068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).