6'-[2-(1-acetylpiperidin-4-yl)oxy-5-ethynylphenyl]-6-chloro-4'-(3-chlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione

C33H29Cl2N3O4 — CID 74931510

IUPAC6'-[2-(1-acetylpiperidin-4-yl)oxy-5-ethynylphenyl]-6-chloro-4'-(3-chlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
SMILESC#Cc1ccc(OC2CCN(C(C)=O)CC2)c(C2NC(=O)CC(c3cccc(Cl)c3)C23C(=O)Nc2cc(Cl)ccc23)c1
InChIInChI=1S/C33H29Cl2N3O4/c1-3-20-7-10-29(42-24-11-13-38(14-12-24)19(2)39)25(15-20)31-33(26-9-8-23(35)17-28(26)36-32(33)41)27(18-30(40)37-31)21-5-4-6-22(34)16-21/h1,4-10,15-17,24,27,31H,11-14,18H2,2H3,(H,36,41)(H,37,40)
InChIKeyNIVPSRMVYJJIMX-UHFFFAOYSA-N
MW602.52 g/mol
LogP5.60
Rot. Bonds4

About 6'-[2-(1-acetylpiperidin-4-yl)oxy-5-ethynylphenyl]-6-chloro-4'-(3-chlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione

6'-[2-(1-acetylpiperidin-4-yl)oxy-5-ethynylphenyl]-6-chloro-4'-(3-chlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione (PubChem CID 74931510) has the molecular formula C33H29Cl2N3O4 and a molecular weight of 602.52 g/mol. Its IUPAC name is 6'-[2-(1-acetylpiperidin-4-yl)oxy-5-ethynylphenyl]-6-chloro-4'-(3-chlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione.

Molecular Properties

Compound Name6'-[2-(1-acetylpiperidin-4-yl)oxy-5-ethynylphenyl]-6-chloro-4'-(3-chlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
PubChem CID74931510
Molecular FormulaC33H29Cl2N3O4
Molecular Weight602.52 g/mol
Exact Mass601.15
IUPAC Name6'-[2-(1-acetylpiperidin-4-yl)oxy-5-ethynylphenyl]-6-chloro-4'-(3-chlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
SMILESC#Cc1ccc(OC2CCN(C(C)=O)CC2)c(C2NC(=O)CC(c3cccc(Cl)c3)C23C(=O)Nc2cc(Cl)ccc23)c1
InChIInChI=1S/C33H29Cl2N3O4/c1-3-20-7-10-29(42-24-11-13-38(14-12-24)19(2)39)25(15-20)31-33(26-9-8-23(35)17-28(26)36-32(33)41)27(18-30(40)37-31)21-5-4-6-22(34)16-21/h1,4-10,15-17,24,27,31H,11-14,18H2,2H3,(H,36,41)(H,37,40)
InChIKeyNIVPSRMVYJJIMX-UHFFFAOYSA-N
XLogP5.60
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.52
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 6'-[2-(1-acetylpiperidin-4-yl)oxy-5-ethynylphenyl]-6-chloro-4'-(3-chlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione 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

4'-[2-(1-acetylpiperidin-4-yl)oxy-5-bromophenyl]-6-chloro-6'-(3-chlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 77285149
4-[4-bromo-2-[(2'R,3R,4'S)-6-chloro-4'-(3-chlorophenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-2'-yl]-3-fluorophenoxy]-N,N-dimethylpiperidine-1-carboxamide
CID 66641102
tert-butyl 4-[4-bromo-2-[(2'R,3R,4'S)-6-chloro-4'-(3-chlorophenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-2'-yl]-3-fluorophenoxy]piperidine-1-carboxylate
CID 66640665
(3R,4'S,6'R)-6'-[2-[(1-acetylpiperidin-4-yl)amino]-5-ethynylphenyl]-6-chloro-4'-(5-chlorocyclohexa-2,4-dien-1-yl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 87092037
(3S,4'R,6'S)-6-chloro-4'-(3-chlorophenyl)-6'-(2-ethylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 68958392
(3S,4'R,6'S)-6-chloro-6'-(2-chlorophenyl)-4'-(3-chlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 68958160
6-chloro-4'-(3-chlorophenyl)-6'-[2-hydroxy-5-(2-trimethylsilylethynyl)phenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 76568074
6-chloro-6'-(3-chlorophenyl)-4'-phenylspiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 131727313
1-[4-chloro-2-[(2'R,3R,4'S)-6-chloro-4'-(3-chlorophenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-2'-yl]phenoxy]-N-ethylpyrrolidine-3-carboxamide
CID 67362142
(3R,4'S,6'R)-6-chloro-4'-(3-chlorophenyl)-6'-(2,4-difluorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 68961944
CID 89176532
CID 89176532
(3R,4'S,6'S)-6'-(5-bromo-2-iodophenyl)-6-chloro-4'-(3-chlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 70999482

Frequently Asked Questions

What is the IUPAC name of 6'-[2-(1-acetylpiperidin-4-yl)oxy-5-ethynylphenyl]-6-chloro-4'-(3-chlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione?
The IUPAC name of 6'-[2-(1-acetylpiperidin-4-yl)oxy-5-ethynylphenyl]-6-chloro-4'-(3-chlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione (CID 74931510) is 6'-[2-(1-acetylpiperidin-4-yl)oxy-5-ethynylphenyl]-6-chloro-4'-(3-chlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione.
What is the SMILES notation for 6'-[2-(1-acetylpiperidin-4-yl)oxy-5-ethynylphenyl]-6-chloro-4'-(3-chlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione?
The canonical SMILES for 6'-[2-(1-acetylpiperidin-4-yl)oxy-5-ethynylphenyl]-6-chloro-4'-(3-chlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione is C#Cc1ccc(OC2CCN(C(C)=O)CC2)c(C2NC(=O)CC(c3cccc(Cl)c3)C23C(=O)Nc2cc(Cl)ccc23)c1.
What is the InChIKey of 6'-[2-(1-acetylpiperidin-4-yl)oxy-5-ethynylphenyl]-6-chloro-4'-(3-chlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione?
The InChIKey is NIVPSRMVYJJIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29Cl2N3O4/c1-3-20-7-10-29(42-24-11-13-38(14-12-24)19(2)39)25(15-20)31-33(26-9-8-23(35)17-28(26)36-32(33)41)27(18-30(40)37-31)21-5-4-6-22(34)16-21/h1,4-10,15-17,24,27,31H,11-14,18H2,2H3,(H,36,41)(H,37,40).
What are the key properties of 6'-[2-(1-acetylpiperidin-4-yl)oxy-5-ethynylphenyl]-6-chloro-4'-(3-chlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione?
6'-[2-(1-acetylpiperidin-4-yl)oxy-5-ethynylphenyl]-6-chloro-4'-(3-chlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione has a molecular weight of 602.52 g/mol, XLogP of 5.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-[2-(1-acetylpiperidin-4-yl)oxy-5-ethynylphenyl]-6-chloro-4'-(3-chlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione is sourced from PubChem (CID 74931510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).