1'-[2-amino-3-(2,4-dichlorophenyl)propanoyl]-1-methylspiro[indole-3,4'-piperidine]-2-one

C22H23Cl2N3O2 — CID 69237539

IUPAC1'-[2-amino-3-(2,4-dichlorophenyl)propanoyl]-1-methylspiro[indole-3,4'-piperidine]-2-one
SMILESCN1C(=O)C2(CCN(C(=O)C(N)Cc3ccc(Cl)cc3Cl)CC2)c2ccccc21
InChIInChI=1S/C22H23Cl2N3O2/c1-26-19-5-3-2-4-16(19)22(21(26)29)8-10-27(11-9-22)20(28)18(25)12-14-6-7-15(23)13-17(14)24/h2-7,13,18H,8-12,25H2,1H3
InChIKeyZDKBXTODPGDFSP-UHFFFAOYSA-N
MW432.35 g/mol
LogP3.40
Rot. Bonds3

About 1'-[2-amino-3-(2,4-dichlorophenyl)propanoyl]-1-methylspiro[indole-3,4'-piperidine]-2-one

1'-[2-amino-3-(2,4-dichlorophenyl)propanoyl]-1-methylspiro[indole-3,4'-piperidine]-2-one (PubChem CID 69237539) has the molecular formula C22H23Cl2N3O2 and a molecular weight of 432.35 g/mol. Its IUPAC name is 1'-[2-amino-3-(2,4-dichlorophenyl)propanoyl]-1-methylspiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-[2-amino-3-(2,4-dichlorophenyl)propanoyl]-1-methylspiro[indole-3,4'-piperidine]-2-one
PubChem CID69237539
Molecular FormulaC22H23Cl2N3O2
Molecular Weight432.35 g/mol
Exact Mass431.12
IUPAC Name1'-[2-amino-3-(2,4-dichlorophenyl)propanoyl]-1-methylspiro[indole-3,4'-piperidine]-2-one
SMILESCN1C(=O)C2(CCN(C(=O)C(N)Cc3ccc(Cl)cc3Cl)CC2)c2ccccc21
InChIInChI=1S/C22H23Cl2N3O2/c1-26-19-5-3-2-4-16(19)22(21(26)29)8-10-27(11-9-22)20(28)18(25)12-14-6-7-15(23)13-17(14)24/h2-7,13,18H,8-12,25H2,1H3
InChIKeyZDKBXTODPGDFSP-UHFFFAOYSA-N
XLogP3.40
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.35
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1'-(2-hydroxy-4-methylpentanoyl)-1-methylspiro[indole-3,4'-piperidine]-2-one
CID 56919321
1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxamide
CID 57097431
1-methyl-1'-(pyrrolidine-1-carbonyl)spiro[indole-3,4'-piperidine]-2-one
CID 97452604
2-amino-3-(2,4-dichlorophenyl)-1-(3-propan-2-ylazetidin-1-yl)propan-1-one
CID 164907228
2-amino-3-(2,4-dichlorophenyl)-1-[4-(3,4-dichlorophenyl)piperazin-1-yl]propan-1-one
CID 69184296
1-methyl-1'-[(2S)-2-pyrazol-1-ylbutanoyl]spiro[indole-3,4'-piperidine]-2-one
CID 97122726
1'-butanoyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 53177130
1'-(3-methoxypropanoyl)-1-methylspiro[indole-3,4'-piperidine]-2-one
CID 91914352
1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 14317864
N-ethyl-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide
CID 53177203
1'-(3,3-dimethylbutanoyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 53177144
(3S)-N-ethyl-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide
CID 95104040

Frequently Asked Questions

What is the IUPAC name of 1'-[2-amino-3-(2,4-dichlorophenyl)propanoyl]-1-methylspiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 1'-[2-amino-3-(2,4-dichlorophenyl)propanoyl]-1-methylspiro[indole-3,4'-piperidine]-2-one (CID 69237539) is 1'-[2-amino-3-(2,4-dichlorophenyl)propanoyl]-1-methylspiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-[2-amino-3-(2,4-dichlorophenyl)propanoyl]-1-methylspiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-[2-amino-3-(2,4-dichlorophenyl)propanoyl]-1-methylspiro[indole-3,4'-piperidine]-2-one is CN1C(=O)C2(CCN(C(=O)C(N)Cc3ccc(Cl)cc3Cl)CC2)c2ccccc21.
What is the InChIKey of 1'-[2-amino-3-(2,4-dichlorophenyl)propanoyl]-1-methylspiro[indole-3,4'-piperidine]-2-one?
The InChIKey is ZDKBXTODPGDFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2N3O2/c1-26-19-5-3-2-4-16(19)22(21(26)29)8-10-27(11-9-22)20(28)18(25)12-14-6-7-15(23)13-17(14)24/h2-7,13,18H,8-12,25H2,1H3.
What are the key properties of 1'-[2-amino-3-(2,4-dichlorophenyl)propanoyl]-1-methylspiro[indole-3,4'-piperidine]-2-one?
1'-[2-amino-3-(2,4-dichlorophenyl)propanoyl]-1-methylspiro[indole-3,4'-piperidine]-2-one has a molecular weight of 432.35 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[2-amino-3-(2,4-dichlorophenyl)propanoyl]-1-methylspiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 69237539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).