1-[4-[(8-pyridin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)methyl]thiophen-2-yl]ethanone

C20H25N3OS — CID 70743824

IUPAC1-[4-[(8-pyridin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)methyl]thiophen-2-yl]ethanone
SMILESCC(=O)c1cc(CN2CCCC23CCN(c2ccccn2)CC3)cs1
InChIInChI=1S/C20H25N3OS/c1-16(24)18-13-17(15-25-18)14-23-10-4-6-20(23)7-11-22(12-8-20)19-5-2-3-9-21-19/h2-3,5,9,13,15H,4,6-8,10-12,14H2,1H3
InChIKeySNGOXWKYPBTMIK-UHFFFAOYSA-N
MW355.51 g/mol
LogP3.98
Rot. Bonds4

About 1-[4-[(8-pyridin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)methyl]thiophen-2-yl]ethanone

1-[4-[(8-pyridin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)methyl]thiophen-2-yl]ethanone (PubChem CID 70743824) has the molecular formula C20H25N3OS and a molecular weight of 355.51 g/mol. Its IUPAC name is 1-[4-[(8-pyridin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)methyl]thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(8-pyridin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)methyl]thiophen-2-yl]ethanone
PubChem CID70743824
Molecular FormulaC20H25N3OS
Molecular Weight355.51 g/mol
Exact Mass355.17
IUPAC Name1-[4-[(8-pyridin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)methyl]thiophen-2-yl]ethanone
SMILESCC(=O)c1cc(CN2CCCC23CCN(c2ccccn2)CC3)cs1
InChIInChI=1S/C20H25N3OS/c1-16(24)18-13-17(15-25-18)14-23-10-4-6-20(23)7-11-22(12-8-20)19-5-2-3-9-21-19/h2-3,5,9,13,15H,4,6-8,10-12,14H2,1H3
InChIKeySNGOXWKYPBTMIK-UHFFFAOYSA-N
XLogP3.98
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.51
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(8-pyridin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)methyl]thiophen-2-yl]ethanone?
The IUPAC name of 1-[4-[(8-pyridin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)methyl]thiophen-2-yl]ethanone (CID 70743824) is 1-[4-[(8-pyridin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)methyl]thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[4-[(8-pyridin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)methyl]thiophen-2-yl]ethanone?
The canonical SMILES for 1-[4-[(8-pyridin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)methyl]thiophen-2-yl]ethanone is CC(=O)c1cc(CN2CCCC23CCN(c2ccccn2)CC3)cs1.
What is the InChIKey of 1-[4-[(8-pyridin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)methyl]thiophen-2-yl]ethanone?
The InChIKey is SNGOXWKYPBTMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3OS/c1-16(24)18-13-17(15-25-18)14-23-10-4-6-20(23)7-11-22(12-8-20)19-5-2-3-9-21-19/h2-3,5,9,13,15H,4,6-8,10-12,14H2,1H3.
What are the key properties of 1-[4-[(8-pyridin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)methyl]thiophen-2-yl]ethanone?
1-[4-[(8-pyridin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)methyl]thiophen-2-yl]ethanone has a molecular weight of 355.51 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(8-pyridin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)methyl]thiophen-2-yl]ethanone is sourced from PubChem (CID 70743824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).