1-acetyl-N-[3-[[3-[2-(4-chlorophenyl)ethenyl]-1H-indol-6-yl]oxy]phenyl]piperidine-4-carboxamide

C30H28ClN3O3 — CID 72656193

IUPAC1-acetyl-N-[3-[[3-[2-(4-chlorophenyl)ethenyl]-1H-indol-6-yl]oxy]phenyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2cccc(Oc3ccc4c(C=Cc5ccc(Cl)cc5)c[nH]c4c3)c2)CC1
InChIInChI=1S/C30H28ClN3O3/c1-20(35)34-15-13-22(14-16-34)30(36)33-25-3-2-4-26(17-25)37-27-11-12-28-23(19-32-29(28)18-27)8-5-21-6-9-24(31)10-7-21/h2-12,17-19,22,32H,13-16H2,1H3,(H,33,36)
InChIKeyPTKVRYRAUISVDN-UHFFFAOYSA-N
MW514.03 g/mol
LogP6.98
Rot. Bonds6

About 1-acetyl-N-[3-[[3-[2-(4-chlorophenyl)ethenyl]-1H-indol-6-yl]oxy]phenyl]piperidine-4-carboxamide

1-acetyl-N-[3-[[3-[2-(4-chlorophenyl)ethenyl]-1H-indol-6-yl]oxy]phenyl]piperidine-4-carboxamide (PubChem CID 72656193) has the molecular formula C30H28ClN3O3 and a molecular weight of 514.03 g/mol. Its IUPAC name is 1-acetyl-N-[3-[[3-[2-(4-chlorophenyl)ethenyl]-1H-indol-6-yl]oxy]phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[3-[[3-[2-(4-chlorophenyl)ethenyl]-1H-indol-6-yl]oxy]phenyl]piperidine-4-carboxamide
PubChem CID72656193
Molecular FormulaC30H28ClN3O3
Molecular Weight514.03 g/mol
Exact Mass513.18
IUPAC Name1-acetyl-N-[3-[[3-[2-(4-chlorophenyl)ethenyl]-1H-indol-6-yl]oxy]phenyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2cccc(Oc3ccc4c(C=Cc5ccc(Cl)cc5)c[nH]c4c3)c2)CC1
InChIInChI=1S/C30H28ClN3O3/c1-20(35)34-15-13-22(14-16-34)30(36)33-25-3-2-4-26(17-25)37-27-11-12-28-23(19-32-29(28)18-27)8-5-21-6-9-24(31)10-7-21/h2-12,17-19,22,32H,13-16H2,1H3,(H,33,36)
InChIKeyPTKVRYRAUISVDN-UHFFFAOYSA-N
XLogP6.98
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.03
LogP ≤ 56.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-acetyl-N-[3-[[3-[2-(4-chlorophenyl)ethenyl]-1H-indol-6-yl]oxy]phenyl]piperidine-4-carboxamide 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

1-acetyl-N-[3-[[3-[(E)-2-(4-chlorophenyl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]piperidine-4-carboxamide
CID 22978012
1-acetyl-N-[4-(4-chlorophenoxy)phenyl]piperidine-4-carboxamide
CID 6468150
1-acetyl-N-(3-formylphenyl)piperidine-4-carboxamide
CID 59571688
1-[2-(1H-indol-3-yl)acetyl]-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 113007464
N-(3-chlorophenyl)-1-[2-(1H-indol-3-yl)acetyl]piperidine-4-carboxamide
CID 113007151
1-(4-fluorobenzoyl)-N-(3-phenoxyphenyl)piperidine-4-carboxamide
CID 9268659
N-[3-[2-(4-chlorophenoxy)ethoxy]phenyl]cyclopropanecarboxamide
CID 112830319
methyl 4-[(3-chlorophenyl)carbamoyl]piperidine-1-carboxylate
CID 110754183
1-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-3-ium-4-yl)-N-(3-naphthalen-2-yloxyphenyl)piperidine-4-carboxamide
CID 123845522
1-acetyl-N-(3-nitrophenyl)piperidine-4-carboxamide
CID 35345514
1-acetyl-N-(3-methylsulfonylphenyl)piperidine-4-carboxamide
CID 33156130
N-(3-acetylphenyl)-1-propanoylpiperidine-4-carboxamide
CID 113007816

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[3-[[3-[2-(4-chlorophenyl)ethenyl]-1H-indol-6-yl]oxy]phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-[3-[[3-[2-(4-chlorophenyl)ethenyl]-1H-indol-6-yl]oxy]phenyl]piperidine-4-carboxamide (CID 72656193) is 1-acetyl-N-[3-[[3-[2-(4-chlorophenyl)ethenyl]-1H-indol-6-yl]oxy]phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[3-[[3-[2-(4-chlorophenyl)ethenyl]-1H-indol-6-yl]oxy]phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[3-[[3-[2-(4-chlorophenyl)ethenyl]-1H-indol-6-yl]oxy]phenyl]piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)Nc2cccc(Oc3ccc4c(C=Cc5ccc(Cl)cc5)c[nH]c4c3)c2)CC1.
What is the InChIKey of 1-acetyl-N-[3-[[3-[2-(4-chlorophenyl)ethenyl]-1H-indol-6-yl]oxy]phenyl]piperidine-4-carboxamide?
The InChIKey is PTKVRYRAUISVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28ClN3O3/c1-20(35)34-15-13-22(14-16-34)30(36)33-25-3-2-4-26(17-25)37-27-11-12-28-23(19-32-29(28)18-27)8-5-21-6-9-24(31)10-7-21/h2-12,17-19,22,32H,13-16H2,1H3,(H,33,36).
What are the key properties of 1-acetyl-N-[3-[[3-[2-(4-chlorophenyl)ethenyl]-1H-indol-6-yl]oxy]phenyl]piperidine-4-carboxamide?
1-acetyl-N-[3-[[3-[2-(4-chlorophenyl)ethenyl]-1H-indol-6-yl]oxy]phenyl]piperidine-4-carboxamide has a molecular weight of 514.03 g/mol, XLogP of 6.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[3-[[3-[2-(4-chlorophenyl)ethenyl]-1H-indol-6-yl]oxy]phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 72656193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).