3-(4-chlorophenyl)-1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,8-diazaspiro[3.5]nonan-8-yl]propan-1-one

C21H26ClN3OS — CID 131678677

IUPAC3-(4-chlorophenyl)-1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,8-diazaspiro[3.5]nonan-8-yl]propan-1-one
SMILESCc1ncc(CN2CCC23CCCN(C(=O)CCc2ccc(Cl)cc2)C3)s1
InChIInChI=1S/C21H26ClN3OS/c1-16-23-13-19(27-16)14-25-12-10-21(25)9-2-11-24(15-21)20(26)8-5-17-3-6-18(22)7-4-17/h3-4,6-7,13H,2,5,8-12,14-15H2,1H3
InChIKeyUOEVHGDVDCSRMY-UHFFFAOYSA-N
MW403.98 g/mol
LogP4.30
Rot. Bonds5

About 3-(4-chlorophenyl)-1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,8-diazaspiro[3.5]nonan-8-yl]propan-1-one

3-(4-chlorophenyl)-1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,8-diazaspiro[3.5]nonan-8-yl]propan-1-one (PubChem CID 131678677) has the molecular formula C21H26ClN3OS and a molecular weight of 403.98 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,8-diazaspiro[3.5]nonan-8-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,8-diazaspiro[3.5]nonan-8-yl]propan-1-one
PubChem CID131678677
Molecular FormulaC21H26ClN3OS
Molecular Weight403.98 g/mol
Exact Mass403.15
IUPAC Name3-(4-chlorophenyl)-1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,8-diazaspiro[3.5]nonan-8-yl]propan-1-one
SMILESCc1ncc(CN2CCC23CCCN(C(=O)CCc2ccc(Cl)cc2)C3)s1
InChIInChI=1S/C21H26ClN3OS/c1-16-23-13-19(27-16)14-25-12-10-21(25)9-2-11-24(15-21)20(26)8-5-17-3-6-18(22)7-4-17/h3-4,6-7,13H,2,5,8-12,14-15H2,1H3
InChIKeyUOEVHGDVDCSRMY-UHFFFAOYSA-N
XLogP4.30
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.98
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(4-chlorophenyl)-1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,8-diazaspiro[3.5]nonan-8-yl]propan-1-one with MolForge

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Related Compounds

3-(4-chlorophenyl)-1-(1-methyl-1,8-diazaspiro[3.5]nonan-8-yl)propan-1-one;2,2,2-trifluoroacetic acid
CID 155867079
1-[(5S)-1-[(4-chlorophenyl)methyl]-1,7-diazaspiro[4.4]nonan-7-yl]-3-methoxypropan-1-one
CID 97393060
methyl 4-[(5S)-1-[(4-chlorophenyl)methyl]-1,9-diazaspiro[4.5]decan-9-yl]-4-oxobutanoate
CID 97393313
1-(1-benzyl-1,9-diazaspiro[4.5]decan-9-yl)-2-(4-chlorophenyl)ethanone
CID 131647501
3-(4-chlorophenyl)-1-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]propan-1-one
CID 108536940
1-[1-[(4-fluorophenyl)methyl]-1,7-diazaspiro[3.4]octan-7-yl]butan-1-one
CID 155900811
1-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 56892056
3-(4-chlorophenyl)-1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]propan-1-one
CID 110104195
1-[3-(4-aminophenyl)propanoyl]-3-methylpiperidine-3-carboxylic acid
CID 115341439
4-chloro-1-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]butan-1-one
CID 108569833
2-(4-chlorophenyl)-1-[1-(1,3-thiazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-9-yl]ethanone
CID 134073855
[(3S)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol
CID 26405340

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,8-diazaspiro[3.5]nonan-8-yl]propan-1-one?
The IUPAC name of 3-(4-chlorophenyl)-1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,8-diazaspiro[3.5]nonan-8-yl]propan-1-one (CID 131678677) is 3-(4-chlorophenyl)-1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,8-diazaspiro[3.5]nonan-8-yl]propan-1-one.
What is the SMILES notation for 3-(4-chlorophenyl)-1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,8-diazaspiro[3.5]nonan-8-yl]propan-1-one?
The canonical SMILES for 3-(4-chlorophenyl)-1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,8-diazaspiro[3.5]nonan-8-yl]propan-1-one is Cc1ncc(CN2CCC23CCCN(C(=O)CCc2ccc(Cl)cc2)C3)s1.
What is the InChIKey of 3-(4-chlorophenyl)-1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,8-diazaspiro[3.5]nonan-8-yl]propan-1-one?
The InChIKey is UOEVHGDVDCSRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3OS/c1-16-23-13-19(27-16)14-25-12-10-21(25)9-2-11-24(15-21)20(26)8-5-17-3-6-18(22)7-4-17/h3-4,6-7,13H,2,5,8-12,14-15H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,8-diazaspiro[3.5]nonan-8-yl]propan-1-one?
3-(4-chlorophenyl)-1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,8-diazaspiro[3.5]nonan-8-yl]propan-1-one has a molecular weight of 403.98 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,8-diazaspiro[3.5]nonan-8-yl]propan-1-one is sourced from PubChem (CID 131678677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).