2-(cyclopropylmethyl)-4-(methoxymethyl)-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one

C18H27N3O2S — CID 131660207

IUPAC2-(cyclopropylmethyl)-4-(methoxymethyl)-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCOCC1C(=O)N(CC2CC2)CC12CCN(Cc1nccs1)CC2
InChIInChI=1S/C18H27N3O2S/c1-23-12-15-17(22)21(10-14-2-3-14)13-18(15)4-7-20(8-5-18)11-16-19-6-9-24-16/h6,9,14-15H,2-5,7-8,10-13H2,1H3
InChIKeyXLFYFCAQSZCLKA-UHFFFAOYSA-N
MW349.50 g/mol
LogP2.24
Rot. Bonds6

About 2-(cyclopropylmethyl)-4-(methoxymethyl)-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one

2-(cyclopropylmethyl)-4-(methoxymethyl)-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 131660207) has the molecular formula C18H27N3O2S and a molecular weight of 349.50 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-4-(methoxymethyl)-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-4-(methoxymethyl)-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID131660207
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC Name2-(cyclopropylmethyl)-4-(methoxymethyl)-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCOCC1C(=O)N(CC2CC2)CC12CCN(Cc1nccs1)CC2
InChIInChI=1S/C18H27N3O2S/c1-23-12-15-17(22)21(10-14-2-3-14)13-18(15)4-7-20(8-5-18)11-16-19-6-9-24-16/h6,9,14-15H,2-5,7-8,10-13H2,1H3
InChIKeyXLFYFCAQSZCLKA-UHFFFAOYSA-N
XLogP2.24
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-4-(methoxymethyl)-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-(cyclopropylmethyl)-4-(methoxymethyl)-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one (CID 131660207) is 2-(cyclopropylmethyl)-4-(methoxymethyl)-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-(cyclopropylmethyl)-4-(methoxymethyl)-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-(cyclopropylmethyl)-4-(methoxymethyl)-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one is COCC1C(=O)N(CC2CC2)CC12CCN(Cc1nccs1)CC2.
What is the InChIKey of 2-(cyclopropylmethyl)-4-(methoxymethyl)-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is XLFYFCAQSZCLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2S/c1-23-12-15-17(22)21(10-14-2-3-14)13-18(15)4-7-20(8-5-18)11-16-19-6-9-24-16/h6,9,14-15H,2-5,7-8,10-13H2,1H3.
What are the key properties of 2-(cyclopropylmethyl)-4-(methoxymethyl)-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one?
2-(cyclopropylmethyl)-4-(methoxymethyl)-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 349.50 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-4-(methoxymethyl)-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 131660207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).