5-chloro-1'-propan-2-yl-1-propylspiro[indole-3,4'-piperidine]-2-one

C18H25ClN2O — CID 170117340

IUPAC5-chloro-1'-propan-2-yl-1-propylspiro[indole-3,4'-piperidine]-2-one
SMILESCCCN1C(=O)C2(CCN(C(C)C)CC2)c2cc(Cl)ccc21
InChIInChI=1S/C18H25ClN2O/c1-4-9-21-16-6-5-14(19)12-15(16)18(17(21)22)7-10-20(11-8-18)13(2)3/h5-6,12-13H,4,7-11H2,1-3H3
InChIKeyPDPJFMNPAIXWES-UHFFFAOYSA-N
MW320.86 g/mol
LogP3.84
Rot. Bonds3

About 5-chloro-1'-propan-2-yl-1-propylspiro[indole-3,4'-piperidine]-2-one

5-chloro-1'-propan-2-yl-1-propylspiro[indole-3,4'-piperidine]-2-one (PubChem CID 170117340) has the molecular formula C18H25ClN2O and a molecular weight of 320.86 g/mol. Its IUPAC name is 5-chloro-1'-propan-2-yl-1-propylspiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name5-chloro-1'-propan-2-yl-1-propylspiro[indole-3,4'-piperidine]-2-one
PubChem CID170117340
Molecular FormulaC18H25ClN2O
Molecular Weight320.86 g/mol
Exact Mass320.17
IUPAC Name5-chloro-1'-propan-2-yl-1-propylspiro[indole-3,4'-piperidine]-2-one
SMILESCCCN1C(=O)C2(CCN(C(C)C)CC2)c2cc(Cl)ccc21
InChIInChI=1S/C18H25ClN2O/c1-4-9-21-16-6-5-14(19)12-15(16)18(17(21)22)7-10-20(11-8-18)13(2)3/h5-6,12-13H,4,7-11H2,1-3H3
InChIKeyPDPJFMNPAIXWES-UHFFFAOYSA-N
XLogP3.84
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.86
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-chloro-1'-propan-2-yl-1-propylspiro[indole-3,4'-piperidine]-2-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

5-chloro-3-hydroxy-1-propyl-3-(pyridazin-4-ylmethyl)indol-2-one
CID 122655187
5'-amino-1'-ethylspiro[cyclopropane-1,3'-indole]-2'-one
CID 84618269
1'-[(2S)-butan-2-yl]-1-ethylspiro[indole-3,4'-piperidine]-2-one
CID 97400082
5'-chloro-1'-heptylspiro[1,3-dioxane-2,3'-indole]-2'-one
CID 18889511
1-butyl-5-chloro-1'-[(4-chlorophenyl)methyl]spiro[indole-3,3'-pyrrolidine]-2,2',5'-trione
CID 123842942
3,3,5-trimethyl-1-propylindol-2-one
CID 69481776
5-chloro-1'-[2-[2-(1-ethylcyclopropyl)pyrimidin-5-yl]oxyethyl]-1-methylspiro[indole-3,4'-piperidine]-2-one
CID 170118897
5-chloro-1'-[(E)-3-(4-chlorophenyl)prop-2-enyl]-1-(2-trimethylsilylethoxymethyl)spiro[indole-3,4'-piperidine]-2-one
CID 102258337
3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-hydroxy-1-propylindol-2-one
CID 2977337
5-chloro-1-methyl-1'-[2-[4-(1-propan-2-ylsulfonylcyclobutyl)phenoxy]ethyl]spiro[indole-3,4'-piperidine]-2-one
CID 170118896
5-chloro-1'-[2-[2-(1-methylsulfonylethyl)pyrimidin-5-yl]oxyethyl]-1-(trideuteriomethyl)spiro[indole-3,4'-piperidine]-2-one
CID 169030989
7-chloro-1-propyl-3,4-dihydroquinoxalin-2-one
CID 84624682

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1'-propan-2-yl-1-propylspiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 5-chloro-1'-propan-2-yl-1-propylspiro[indole-3,4'-piperidine]-2-one (CID 170117340) is 5-chloro-1'-propan-2-yl-1-propylspiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 5-chloro-1'-propan-2-yl-1-propylspiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 5-chloro-1'-propan-2-yl-1-propylspiro[indole-3,4'-piperidine]-2-one is CCCN1C(=O)C2(CCN(C(C)C)CC2)c2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-1'-propan-2-yl-1-propylspiro[indole-3,4'-piperidine]-2-one?
The InChIKey is PDPJFMNPAIXWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O/c1-4-9-21-16-6-5-14(19)12-15(16)18(17(21)22)7-10-20(11-8-18)13(2)3/h5-6,12-13H,4,7-11H2,1-3H3.
What are the key properties of 5-chloro-1'-propan-2-yl-1-propylspiro[indole-3,4'-piperidine]-2-one?
5-chloro-1'-propan-2-yl-1-propylspiro[indole-3,4'-piperidine]-2-one has a molecular weight of 320.86 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1'-propan-2-yl-1-propylspiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 170117340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).