1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-2-piperidin-4-ylethanone

C22H35N3OS — CID 118666329

IUPAC1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-2-piperidin-4-ylethanone
SMILESCN(C)C1(c2cccs2)CCC2(CCN(C(=O)CC3CCNCC3)C2)CC1
InChIInChI=1S/C22H35N3OS/c1-24(2)22(19-4-3-15-27-19)9-7-21(8-10-22)11-14-25(17-21)20(26)16-18-5-12-23-13-6-18/h3-4,15,18,23H,5-14,16-17H2,1-2H3
InChIKeyYCQHQXSXCDIUIF-UHFFFAOYSA-N
MW389.61 g/mol
LogP3.69
Rot. Bonds4

About 1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-2-piperidin-4-ylethanone

1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-2-piperidin-4-ylethanone (PubChem CID 118666329) has the molecular formula C22H35N3OS and a molecular weight of 389.61 g/mol. Its IUPAC name is 1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-2-piperidin-4-ylethanone.

Molecular Properties

Compound Name1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-2-piperidin-4-ylethanone
PubChem CID118666329
Molecular FormulaC22H35N3OS
Molecular Weight389.61 g/mol
Exact Mass389.25
IUPAC Name1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-2-piperidin-4-ylethanone
SMILESCN(C)C1(c2cccs2)CCC2(CCN(C(=O)CC3CCNCC3)C2)CC1
InChIInChI=1S/C22H35N3OS/c1-24(2)22(19-4-3-15-27-19)9-7-21(8-10-22)11-14-25(17-21)20(26)16-18-5-12-23-13-6-18/h3-4,15,18,23H,5-14,16-17H2,1-2H3
InChIKeyYCQHQXSXCDIUIF-UHFFFAOYSA-N
XLogP3.69
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.61
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-2-piperidin-4-ylethanone?
The IUPAC name of 1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-2-piperidin-4-ylethanone (CID 118666329) is 1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-2-piperidin-4-ylethanone.
What is the SMILES notation for 1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-2-piperidin-4-ylethanone?
The canonical SMILES for 1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-2-piperidin-4-ylethanone is CN(C)C1(c2cccs2)CCC2(CCN(C(=O)CC3CCNCC3)C2)CC1.
What is the InChIKey of 1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-2-piperidin-4-ylethanone?
The InChIKey is YCQHQXSXCDIUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3OS/c1-24(2)22(19-4-3-15-27-19)9-7-21(8-10-22)11-14-25(17-21)20(26)16-18-5-12-23-13-6-18/h3-4,15,18,23H,5-14,16-17H2,1-2H3.
What are the key properties of 1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-2-piperidin-4-ylethanone?
1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-2-piperidin-4-ylethanone has a molecular weight of 389.61 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-2-piperidin-4-ylethanone is sourced from PubChem (CID 118666329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).