7-(cyclobutylmethyl)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one

C17H25N3OS — CID 72844843

IUPAC7-(cyclobutylmethyl)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C1N(CC2CCC2)CCCC12CCN(Cc1nccs1)C2
InChIInChI=1S/C17H25N3OS/c21-16-17(5-2-8-20(16)11-14-3-1-4-14)6-9-19(13-17)12-15-18-7-10-22-15/h7,10,14H,1-6,8-9,11-13H2
InChIKeyQSWXWKRGWFVNER-UHFFFAOYSA-N
MW319.47 g/mol
LogP2.76
Rot. Bonds4

About 7-(cyclobutylmethyl)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one

7-(cyclobutylmethyl)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72844843) has the molecular formula C17H25N3OS and a molecular weight of 319.47 g/mol. Its IUPAC name is 7-(cyclobutylmethyl)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-(cyclobutylmethyl)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72844843
Molecular FormulaC17H25N3OS
Molecular Weight319.47 g/mol
Exact Mass319.17
IUPAC Name7-(cyclobutylmethyl)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C1N(CC2CCC2)CCCC12CCN(Cc1nccs1)C2
InChIInChI=1S/C17H25N3OS/c21-16-17(5-2-8-20(16)11-14-3-1-4-14)6-9-19(13-17)12-15-18-7-10-22-15/h7,10,14H,1-6,8-9,11-13H2
InChIKeyQSWXWKRGWFVNER-UHFFFAOYSA-N
XLogP2.76
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-7-(cyclopropylmethyl)-2-[(1-methylimidazol-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 26401866
(5S)-7-(cyclopropylmethyl)-2-(1H-imidazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 26407443
(5R)-7-(cyclopropylmethyl)-2-(1H-imidazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 26407445
(5S)-7-(cyclobutylmethyl)-2-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97141091
7-(cyclobutylmethyl)-2-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72871193
(5S)-2-[(2-amino-3-pyridinyl)methyl]-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97141834
(5R)-7-(cyclobutylmethyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97142207
(5S)-7-(cyclobutylmethyl)-2-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 98264452
(5R)-7-(cyclopropylmethyl)-2-[(2,5-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97110619
(5S)-7-(cyclopropylmethyl)-2-[(2-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 25298850
7-(cyclohexylmethyl)-2-[(3-hydroxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45238508
(5R)-7-(cyclobutylmethyl)-2-[2-(1-methylpyrazol-4-yl)ethyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97147308

Frequently Asked Questions

What is the IUPAC name of 7-(cyclobutylmethyl)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-(cyclobutylmethyl)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one (CID 72844843) is 7-(cyclobutylmethyl)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-(cyclobutylmethyl)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-(cyclobutylmethyl)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one is O=C1N(CC2CCC2)CCCC12CCN(Cc1nccs1)C2.
What is the InChIKey of 7-(cyclobutylmethyl)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is QSWXWKRGWFVNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3OS/c21-16-17(5-2-8-20(16)11-14-3-1-4-14)6-9-19(13-17)12-15-18-7-10-22-15/h7,10,14H,1-6,8-9,11-13H2.
What are the key properties of 7-(cyclobutylmethyl)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
7-(cyclobutylmethyl)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 319.47 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclobutylmethyl)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72844843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).