5-(4-chlorophenyl)-6-[2-(dimethylamino)propyl]-4,6-diazaspiro[2.4]heptan-7-one

C16H22ClN3O — CID 83252277

IUPAC5-(4-chlorophenyl)-6-[2-(dimethylamino)propyl]-4,6-diazaspiro[2.4]heptan-7-one
SMILESCC(CN1C(=O)C2(CC2)NC1c1ccc(Cl)cc1)N(C)C
InChIInChI=1S/C16H22ClN3O/c1-11(19(2)3)10-20-14(12-4-6-13(17)7-5-12)18-16(8-9-16)15(20)21/h4-7,11,14,18H,8-10H2,1-3H3
InChIKeyWBZZGFFLHFALHW-UHFFFAOYSA-N
MW307.83 g/mol
LogP2.25
Rot. Bonds4

About 5-(4-chlorophenyl)-6-[2-(dimethylamino)propyl]-4,6-diazaspiro[2.4]heptan-7-one

5-(4-chlorophenyl)-6-[2-(dimethylamino)propyl]-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83252277) has the molecular formula C16H22ClN3O and a molecular weight of 307.83 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-6-[2-(dimethylamino)propyl]-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name5-(4-chlorophenyl)-6-[2-(dimethylamino)propyl]-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83252277
Molecular FormulaC16H22ClN3O
Molecular Weight307.83 g/mol
Exact Mass307.15
IUPAC Name5-(4-chlorophenyl)-6-[2-(dimethylamino)propyl]-4,6-diazaspiro[2.4]heptan-7-one
SMILESCC(CN1C(=O)C2(CC2)NC1c1ccc(Cl)cc1)N(C)C
InChIInChI=1S/C16H22ClN3O/c1-11(19(2)3)10-20-14(12-4-6-13(17)7-5-12)18-16(8-9-16)15(20)21/h4-7,11,14,18H,8-10H2,1-3H3
InChIKeyWBZZGFFLHFALHW-UHFFFAOYSA-N
XLogP2.25
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.83
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-chlorophenyl)-6-[2-[ethyl(methyl)amino]ethyl]-4,6-diazaspiro[2.4]heptan-7-one
CID 83253608
6-[2-(dimethylamino)propyl]-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83249157
6-(2-methylpropyl)-5-(4-propan-2-ylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83245173
5-(4-propan-2-ylphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83241982
6-(2,2-difluoroethyl)-5-(4-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83271058
5-(4-chlorophenyl)-6-(1-cyclopropylethyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83244732
2-(4-chlorophenyl)-3-(cyclopropylmethyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 79827705
6-(cyclopropylmethyl)-5-(4-propan-2-ylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83247504
6-butan-2-yl-5-(4-propan-2-ylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83225055
6-ethyl-5-phenyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83239062
5-(4-chlorophenyl)-6-(2,2-dimethylcyclopropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83248152
5-(3,4-difluorophenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83242438

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-6-[2-(dimethylamino)propyl]-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 5-(4-chlorophenyl)-6-[2-(dimethylamino)propyl]-4,6-diazaspiro[2.4]heptan-7-one (CID 83252277) is 5-(4-chlorophenyl)-6-[2-(dimethylamino)propyl]-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 5-(4-chlorophenyl)-6-[2-(dimethylamino)propyl]-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 5-(4-chlorophenyl)-6-[2-(dimethylamino)propyl]-4,6-diazaspiro[2.4]heptan-7-one is CC(CN1C(=O)C2(CC2)NC1c1ccc(Cl)cc1)N(C)C.
What is the InChIKey of 5-(4-chlorophenyl)-6-[2-(dimethylamino)propyl]-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is WBZZGFFLHFALHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O/c1-11(19(2)3)10-20-14(12-4-6-13(17)7-5-12)18-16(8-9-16)15(20)21/h4-7,11,14,18H,8-10H2,1-3H3.
What are the key properties of 5-(4-chlorophenyl)-6-[2-(dimethylamino)propyl]-4,6-diazaspiro[2.4]heptan-7-one?
5-(4-chlorophenyl)-6-[2-(dimethylamino)propyl]-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 307.83 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-6-[2-(dimethylamino)propyl]-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83252277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).