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

C18H24N4OS — CID 97397003

IUPAC[1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-thiophen-2-ylmethanone
SMILESCn1cc(CN2CCCC23CCN(C(=O)c2cccs2)CC3)cn1
InChIInChI=1S/C18H24N4OS/c1-20-13-15(12-19-20)14-22-8-3-5-18(22)6-9-21(10-7-18)17(23)16-4-2-11-24-16/h2,4,11-13H,3,5-10,14H2,1H3
InChIKeyYTQGFPWKHILZBF-UHFFFAOYSA-N
MW344.48 g/mol
LogP2.75
Rot. Bonds3

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

[1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-thiophen-2-ylmethanone (PubChem CID 97397003) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is [1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-thiophen-2-ylmethanone
PubChem CID97397003
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name[1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-thiophen-2-ylmethanone
SMILESCn1cc(CN2CCCC23CCN(C(=O)c2cccs2)CC3)cn1
InChIInChI=1S/C18H24N4OS/c1-20-13-15(12-19-20)14-22-8-3-5-18(22)6-9-21(10-7-18)17(23)16-4-2-11-24-16/h2,4,11-13H,3,5-10,14H2,1H3
InChIKeyYTQGFPWKHILZBF-UHFFFAOYSA-N
XLogP2.75
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-thiophen-2-ylmethanone?
The IUPAC name of [1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-thiophen-2-ylmethanone (CID 97397003) is [1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-thiophen-2-ylmethanone is Cn1cc(CN2CCCC23CCN(C(=O)c2cccs2)CC3)cn1.
What is the InChIKey of [1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-thiophen-2-ylmethanone?
The InChIKey is YTQGFPWKHILZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-20-13-15(12-19-20)14-22-8-3-5-18(22)6-9-21(10-7-18)17(23)16-4-2-11-24-16/h2,4,11-13H,3,5-10,14H2,1H3.
What are the key properties of [1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-thiophen-2-ylmethanone?
[1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-thiophen-2-ylmethanone has a molecular weight of 344.48 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 97397003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).