8-(dimethylamino)-2-(pyridin-4-ylmethyl)-8-thiophen-2-yl-2-azaspiro[4.5]decan-1-one

C21H27N3OS — CID 118666594

IUPAC8-(dimethylamino)-2-(pyridin-4-ylmethyl)-8-thiophen-2-yl-2-azaspiro[4.5]decan-1-one
SMILESCN(C)C1(c2cccs2)CCC2(CCN(Cc3ccncc3)C2=O)CC1
InChIInChI=1S/C21H27N3OS/c1-23(2)21(18-4-3-15-26-18)9-7-20(8-10-21)11-14-24(19(20)25)16-17-5-12-22-13-6-17/h3-6,12-13,15H,7-11,14,16H2,1-2H3
InChIKeyQPSRADZTKLGSAY-UHFFFAOYSA-N
MW369.53 g/mol
LogP3.89
Rot. Bonds4

About 8-(dimethylamino)-2-(pyridin-4-ylmethyl)-8-thiophen-2-yl-2-azaspiro[4.5]decan-1-one

8-(dimethylamino)-2-(pyridin-4-ylmethyl)-8-thiophen-2-yl-2-azaspiro[4.5]decan-1-one (PubChem CID 118666594) has the molecular formula C21H27N3OS and a molecular weight of 369.53 g/mol. Its IUPAC name is 8-(dimethylamino)-2-(pyridin-4-ylmethyl)-8-thiophen-2-yl-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-(dimethylamino)-2-(pyridin-4-ylmethyl)-8-thiophen-2-yl-2-azaspiro[4.5]decan-1-one
PubChem CID118666594
Molecular FormulaC21H27N3OS
Molecular Weight369.53 g/mol
Exact Mass369.19
IUPAC Name8-(dimethylamino)-2-(pyridin-4-ylmethyl)-8-thiophen-2-yl-2-azaspiro[4.5]decan-1-one
SMILESCN(C)C1(c2cccs2)CCC2(CCN(Cc3ccncc3)C2=O)CC1
InChIInChI=1S/C21H27N3OS/c1-23(2)21(18-4-3-15-26-18)9-7-20(8-10-21)11-14-24(19(20)25)16-17-5-12-22-13-6-17/h3-6,12-13,15H,7-11,14,16H2,1-2H3
InChIKeyQPSRADZTKLGSAY-UHFFFAOYSA-N
XLogP3.89
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.53
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-1-oxo-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decane-9-carboxamide
CID 131649044
N,N-dimethyl-1-oxo-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decane-9-sulfonamide
CID 155878552
(5R)-2,9-bis(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97371955
(5S)-9-(2-methylsulfanylacetyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 98896990
(5R)-9-(2-methylsulfanylacetyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 98896992
9-methylsulfonyl-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131652791
(5S)-9-methylsulfonyl-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97490225
(5R)-9-(furan-2-carbonyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 98896827
1-methyl-4-(pyridin-4-ylmethyl)-9-(1,3-thiazol-2-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97398782
8-(dimethylamino)-2-methyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one
CID 118662018
(5S)-1-oxo-N-propan-2-yl-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decane-9-carboxamide
CID 97490201
9-(3-methylcyclobutanecarbonyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one
CID 131686866

Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-2-(pyridin-4-ylmethyl)-8-thiophen-2-yl-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 8-(dimethylamino)-2-(pyridin-4-ylmethyl)-8-thiophen-2-yl-2-azaspiro[4.5]decan-1-one (CID 118666594) is 8-(dimethylamino)-2-(pyridin-4-ylmethyl)-8-thiophen-2-yl-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-(dimethylamino)-2-(pyridin-4-ylmethyl)-8-thiophen-2-yl-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for 8-(dimethylamino)-2-(pyridin-4-ylmethyl)-8-thiophen-2-yl-2-azaspiro[4.5]decan-1-one is CN(C)C1(c2cccs2)CCC2(CCN(Cc3ccncc3)C2=O)CC1.
What is the InChIKey of 8-(dimethylamino)-2-(pyridin-4-ylmethyl)-8-thiophen-2-yl-2-azaspiro[4.5]decan-1-one?
The InChIKey is QPSRADZTKLGSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3OS/c1-23(2)21(18-4-3-15-26-18)9-7-20(8-10-21)11-14-24(19(20)25)16-17-5-12-22-13-6-17/h3-6,12-13,15H,7-11,14,16H2,1-2H3.
What are the key properties of 8-(dimethylamino)-2-(pyridin-4-ylmethyl)-8-thiophen-2-yl-2-azaspiro[4.5]decan-1-one?
8-(dimethylamino)-2-(pyridin-4-ylmethyl)-8-thiophen-2-yl-2-azaspiro[4.5]decan-1-one has a molecular weight of 369.53 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-2-(pyridin-4-ylmethyl)-8-thiophen-2-yl-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 118666594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).