8-acetyl-1-[(4-chlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decan-4-one

C16H20ClN3O2 — CID 134794909

IUPAC8-acetyl-1-[(4-chlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCC(=O)N1CCC2(CC1)C(=O)NCN2Cc1ccc(Cl)cc1
InChIInChI=1S/C16H20ClN3O2/c1-12(21)19-8-6-16(7-9-19)15(22)18-11-20(16)10-13-2-4-14(17)5-3-13/h2-5H,6-11H2,1H3,(H,18,22)
InChIKeyQQYSGIJOQTWXBU-UHFFFAOYSA-N
MW321.81 g/mol
LogP1.61
Rot. Bonds2

About 8-acetyl-1-[(4-chlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decan-4-one

8-acetyl-1-[(4-chlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 134794909) has the molecular formula C16H20ClN3O2 and a molecular weight of 321.81 g/mol. Its IUPAC name is 8-acetyl-1-[(4-chlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name8-acetyl-1-[(4-chlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID134794909
Molecular FormulaC16H20ClN3O2
Molecular Weight321.81 g/mol
Exact Mass321.12
IUPAC Name8-acetyl-1-[(4-chlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCC(=O)N1CCC2(CC1)C(=O)NCN2Cc1ccc(Cl)cc1
InChIInChI=1S/C16H20ClN3O2/c1-12(21)19-8-6-16(7-9-19)15(22)18-11-20(16)10-13-2-4-14(17)5-3-13/h2-5H,6-11H2,1H3,(H,18,22)
InChIKeyQQYSGIJOQTWXBU-UHFFFAOYSA-N
XLogP1.61
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-(4-chlorobenzoyl)-1-[(4-chlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decan-4-one
CID 134788120
1-[(4-chlorophenyl)methyl]-4-oxo-N-[4-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 134794060
8-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one
CID 22022233
(5R)-9-acetyl-6-benzyl-2,6,9-triazaspiro[4.5]decan-1-one
CID 168833923
6-[(4-chlorophenyl)methyl]-N-methyl-10-oxo-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-2-carboxamide
CID 167201518
1-acetyl-4-[(4-chlorophenyl)methylamino]piperidine-4-carbonitrile
CID 28703081
1-[(3S)-3-[(4-chlorophenyl)methyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 124994566
8-butyl-1-(4-chlorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one
CID 123914569
8-(4-chlorobenzoyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;2,2,2-trifluoroacetic acid
CID 53470052
1-benzyl-8-(2-phenylcyclohexyl)-1,3,8-triazaspiro[4.5]decan-4-one
CID 18441785
1-[1-[(4-chloro-3-methylphenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 145315822
N-(4-chlorophenyl)sulfonyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 25038993

Frequently Asked Questions

What is the IUPAC name of 8-acetyl-1-[(4-chlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 8-acetyl-1-[(4-chlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decan-4-one (CID 134794909) is 8-acetyl-1-[(4-chlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 8-acetyl-1-[(4-chlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 8-acetyl-1-[(4-chlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decan-4-one is CC(=O)N1CCC2(CC1)C(=O)NCN2Cc1ccc(Cl)cc1.
What is the InChIKey of 8-acetyl-1-[(4-chlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is QQYSGIJOQTWXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O2/c1-12(21)19-8-6-16(7-9-19)15(22)18-11-20(16)10-13-2-4-14(17)5-3-13/h2-5H,6-11H2,1H3,(H,18,22).
What are the key properties of 8-acetyl-1-[(4-chlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decan-4-one?
8-acetyl-1-[(4-chlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 321.81 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetyl-1-[(4-chlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 134794909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).