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

C21H21Cl2N3O2 — CID 134788120

IUPAC8-(4-chlorobenzoyl)-1-[(4-chlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C(c1ccc(Cl)cc1)N1CCC2(CC1)C(=O)NCN2Cc1ccc(Cl)cc1
InChIInChI=1S/C21H21Cl2N3O2/c22-17-5-1-15(2-6-17)13-26-14-24-20(28)21(26)9-11-25(12-10-21)19(27)16-3-7-18(23)8-4-16/h1-8H,9-14H2,(H,24,28)
InChIKeyZBWAGPMQGHAWJX-UHFFFAOYSA-N
MW418.32 g/mol
LogP3.56
Rot. Bonds3

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

8-(4-chlorobenzoyl)-1-[(4-chlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 134788120) has the molecular formula C21H21Cl2N3O2 and a molecular weight of 418.32 g/mol. Its IUPAC name is 8-(4-chlorobenzoyl)-1-[(4-chlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name8-(4-chlorobenzoyl)-1-[(4-chlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID134788120
Molecular FormulaC21H21Cl2N3O2
Molecular Weight418.32 g/mol
Exact Mass417.10
IUPAC Name8-(4-chlorobenzoyl)-1-[(4-chlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C(c1ccc(Cl)cc1)N1CCC2(CC1)C(=O)NCN2Cc1ccc(Cl)cc1
InChIInChI=1S/C21H21Cl2N3O2/c22-17-5-1-15(2-6-17)13-26-14-24-20(28)21(26)9-11-25(12-10-21)19(27)16-3-7-18(23)8-4-16/h1-8H,9-14H2,(H,24,28)
InChIKeyZBWAGPMQGHAWJX-UHFFFAOYSA-N
XLogP3.56
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.32
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-(4-chlorobenzoyl)-1-[(4-chlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decan-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-acetyl-1-[(4-chlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decan-4-one
CID 134794909
1-[(4-chlorophenyl)methyl]-4-oxo-N-[4-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 134794060
8-(4-chlorobenzoyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;2,2,2-trifluoroacetic acid
CID 53470052
6-azaspiro[2.5]octan-6-yl-(4-chlorophenyl)methanone
CID 97374342
8-benzoyl-3-[(4-chlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 83278820
1'-(4-chlorobenzoyl)spiro[1H-indole-3,4'-piperidine]-2-one
CID 56892371
3-[(4-chlorophenyl)methyl]-8-(4-ethoxybenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 42109483
8-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one
CID 22022233
(2S)-2,4-dibenzyl-8-(4-chlorobenzoyl)-1,4,8-triazaspiro[4.5]decan-3-one
CID 67165685
8-(naphthalene-2-carbonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 10156925
[1-(4-chlorobenzoyl)piperidin-4-yl]azanium
CID 7183143
(2S)-2-benzyl-8-(4-chlorobenzoyl)-4-[(4-fluorophenyl)methyl]-1,4,8-triazaspiro[4.5]decan-3-one
CID 67165898

Frequently Asked Questions

What is the IUPAC name of 8-(4-chlorobenzoyl)-1-[(4-chlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 8-(4-chlorobenzoyl)-1-[(4-chlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decan-4-one (CID 134788120) is 8-(4-chlorobenzoyl)-1-[(4-chlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 8-(4-chlorobenzoyl)-1-[(4-chlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 8-(4-chlorobenzoyl)-1-[(4-chlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decan-4-one is O=C(c1ccc(Cl)cc1)N1CCC2(CC1)C(=O)NCN2Cc1ccc(Cl)cc1.
What is the InChIKey of 8-(4-chlorobenzoyl)-1-[(4-chlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is ZBWAGPMQGHAWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2N3O2/c22-17-5-1-15(2-6-17)13-26-14-24-20(28)21(26)9-11-25(12-10-21)19(27)16-3-7-18(23)8-4-16/h1-8H,9-14H2,(H,24,28).
What are the key properties of 8-(4-chlorobenzoyl)-1-[(4-chlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decan-4-one?
8-(4-chlorobenzoyl)-1-[(4-chlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 418.32 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chlorobenzoyl)-1-[(4-chlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 134788120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).