1-[4-(2-azaspiro[3.3]heptan-6-yl)-2-chlorophenyl]-1,3-diazinane-2,4-dione

C16H18ClN3O2 — CID 171406830

IUPAC1-[4-(2-azaspiro[3.3]heptan-6-yl)-2-chlorophenyl]-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2ccc(C3CC4(CNC4)C3)cc2Cl)C(=O)N1
InChIInChI=1S/C16H18ClN3O2/c17-12-5-10(11-6-16(7-11)8-18-9-16)1-2-13(12)20-4-3-14(21)19-15(20)22/h1-2,5,11,18H,3-4,6-9H2,(H,19,21,22)
InChIKeyWTVPTBJEIWRXTC-UHFFFAOYSA-N
MW319.79 g/mol
LogP2.25
Rot. Bonds2

About 1-[4-(2-azaspiro[3.3]heptan-6-yl)-2-chlorophenyl]-1,3-diazinane-2,4-dione

1-[4-(2-azaspiro[3.3]heptan-6-yl)-2-chlorophenyl]-1,3-diazinane-2,4-dione (PubChem CID 171406830) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is 1-[4-(2-azaspiro[3.3]heptan-6-yl)-2-chlorophenyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[4-(2-azaspiro[3.3]heptan-6-yl)-2-chlorophenyl]-1,3-diazinane-2,4-dione
PubChem CID171406830
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC Name1-[4-(2-azaspiro[3.3]heptan-6-yl)-2-chlorophenyl]-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2ccc(C3CC4(CNC4)C3)cc2Cl)C(=O)N1
InChIInChI=1S/C16H18ClN3O2/c17-12-5-10(11-6-16(7-11)8-18-9-16)1-2-13(12)20-4-3-14(21)19-15(20)22/h1-2,5,11,18H,3-4,6-9H2,(H,19,21,22)
InChIKeyWTVPTBJEIWRXTC-UHFFFAOYSA-N
XLogP2.25
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[4-(2-azaspiro[3.3]heptan-6-yl)-2-chlorophenyl]-1,3-diazinane-2,4-dione with MolForge

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Related Compounds

1-(2-chloro-4-piperidin-4-ylphenyl)-1,3-diazinane-2,4-dione
CID 171406571
1-(5-bromo-2-chlorophenyl)-1,3-diazinane-2,4-dione
CID 79776913
1-(2,3-dichlorophenyl)-1,3-diazinane-2,4-dione
CID 79776901
1-[2-chloro-4-(4-oxocyclohexyl)phenyl]piperidin-2-one
CID 142618534
1-[2-chloro-4-[4-(cyclohexylmethyl)piperazine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione
CID 170953556
tert-butyl 4-[3-chloro-4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperazine-1-carboxylate
CID 175959318
1-[2-chloro-5-(4-methylpiperazin-1-yl)phenyl]-1,3-diazinane-2,4-dione
CID 170951885
1-(2-hydroxyphenyl)-1,3-diazinane-2,4-dione
CID 15060157
1-(2-chloro-4-fluorophenyl)-3-cyclopropyl-3-methyl-1,4-diazepane-2,5-dione
CID 64961517
4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzaldehyde;5,5-difluoro-7-methyl-2,7-diazaspiro[3.5]nonane;ethane
CID 176558054
1-(2-chloro-4-iodophenyl)-3-methyl-1,4-diazepane-2,5-dione
CID 107604189
1-[4-(3,3-difluoropiperidin-4-yl)phenyl]-1,3-diazinane-2,4-dione
CID 170737571

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-azaspiro[3.3]heptan-6-yl)-2-chlorophenyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[4-(2-azaspiro[3.3]heptan-6-yl)-2-chlorophenyl]-1,3-diazinane-2,4-dione (CID 171406830) is 1-[4-(2-azaspiro[3.3]heptan-6-yl)-2-chlorophenyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[4-(2-azaspiro[3.3]heptan-6-yl)-2-chlorophenyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[4-(2-azaspiro[3.3]heptan-6-yl)-2-chlorophenyl]-1,3-diazinane-2,4-dione is O=C1CCN(c2ccc(C3CC4(CNC4)C3)cc2Cl)C(=O)N1.
What is the InChIKey of 1-[4-(2-azaspiro[3.3]heptan-6-yl)-2-chlorophenyl]-1,3-diazinane-2,4-dione?
The InChIKey is WTVPTBJEIWRXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c17-12-5-10(11-6-16(7-11)8-18-9-16)1-2-13(12)20-4-3-14(21)19-15(20)22/h1-2,5,11,18H,3-4,6-9H2,(H,19,21,22).
What are the key properties of 1-[4-(2-azaspiro[3.3]heptan-6-yl)-2-chlorophenyl]-1,3-diazinane-2,4-dione?
1-[4-(2-azaspiro[3.3]heptan-6-yl)-2-chlorophenyl]-1,3-diazinane-2,4-dione has a molecular weight of 319.79 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-azaspiro[3.3]heptan-6-yl)-2-chlorophenyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 171406830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).