5-(4-chlorophenyl)-6-[2-[ethyl(methyl)amino]ethyl]-4,6-diazaspiro[2.4]heptan-7-one

C16H22ClN3O — CID 83253608

IUPAC5-(4-chlorophenyl)-6-[2-[ethyl(methyl)amino]ethyl]-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCN(C)CCN1C(=O)C2(CC2)NC1c1ccc(Cl)cc1
InChIInChI=1S/C16H22ClN3O/c1-3-19(2)10-11-20-14(12-4-6-13(17)7-5-12)18-16(8-9-16)15(20)21/h4-7,14,18H,3,8-11H2,1-2H3
InChIKeyCNJXEFIPFBSVPJ-UHFFFAOYSA-N
MW307.83 g/mol
LogP2.25
Rot. Bonds5

About 5-(4-chlorophenyl)-6-[2-[ethyl(methyl)amino]ethyl]-4,6-diazaspiro[2.4]heptan-7-one

5-(4-chlorophenyl)-6-[2-[ethyl(methyl)amino]ethyl]-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83253608) has the molecular formula C16H22ClN3O and a molecular weight of 307.83 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-6-[2-[ethyl(methyl)amino]ethyl]-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name5-(4-chlorophenyl)-6-[2-[ethyl(methyl)amino]ethyl]-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83253608
Molecular FormulaC16H22ClN3O
Molecular Weight307.83 g/mol
Exact Mass307.15
IUPAC Name5-(4-chlorophenyl)-6-[2-[ethyl(methyl)amino]ethyl]-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCN(C)CCN1C(=O)C2(CC2)NC1c1ccc(Cl)cc1
InChIInChI=1S/C16H22ClN3O/c1-3-19(2)10-11-20-14(12-4-6-13(17)7-5-12)18-16(8-9-16)15(20)21/h4-7,14,18H,3,8-11H2,1-2H3
InChIKeyCNJXEFIPFBSVPJ-UHFFFAOYSA-N
XLogP2.25
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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-(dimethylamino)propyl]-4,6-diazaspiro[2.4]heptan-7-one
CID 83252277
5-ethyl-6-[2-[ethyl(methyl)amino]ethyl]-4,6-diazaspiro[2.4]heptan-7-one
CID 83255547
6-[2-[ethyl(methyl)amino]ethyl]-5-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83255546
5-(4-propan-2-ylphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83241982
5-(3,4-difluorophenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83242438
5-phenyl-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83242074
5-(4-tert-butylphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83246689
2-(4-chlorophenyl)-3-(cyclopropylmethyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 79827705
3-[2-[ethyl(methyl)amino]ethyl]-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one
CID 83254466
5-(3,4-difluorophenyl)-6-pentyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83246226
6-[2-(dimethylamino)ethyl]-5-(3-methoxyphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83248015
6-(2-cyclopropylethyl)-5-(4-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83268444

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-6-[2-[ethyl(methyl)amino]ethyl]-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 5-(4-chlorophenyl)-6-[2-[ethyl(methyl)amino]ethyl]-4,6-diazaspiro[2.4]heptan-7-one (CID 83253608) is 5-(4-chlorophenyl)-6-[2-[ethyl(methyl)amino]ethyl]-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 5-(4-chlorophenyl)-6-[2-[ethyl(methyl)amino]ethyl]-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 5-(4-chlorophenyl)-6-[2-[ethyl(methyl)amino]ethyl]-4,6-diazaspiro[2.4]heptan-7-one is CCN(C)CCN1C(=O)C2(CC2)NC1c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-6-[2-[ethyl(methyl)amino]ethyl]-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is CNJXEFIPFBSVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O/c1-3-19(2)10-11-20-14(12-4-6-13(17)7-5-12)18-16(8-9-16)15(20)21/h4-7,14,18H,3,8-11H2,1-2H3.
What are the key properties of 5-(4-chlorophenyl)-6-[2-[ethyl(methyl)amino]ethyl]-4,6-diazaspiro[2.4]heptan-7-one?
5-(4-chlorophenyl)-6-[2-[ethyl(methyl)amino]ethyl]-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 307.83 g/mol, XLogP of 2.25, 5 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-[ethyl(methyl)amino]ethyl]-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83253608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).