2-[6-chloro-3-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)indol-1-yl]-N-[2-(dimethylamino)ethyl]acetamide

C27H31ClN4O3 — CID 59657559

IUPAC2-[6-chloro-3-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)indol-1-yl]-N-[2-(dimethylamino)ethyl]acetamide
SMILESCN(C)CCNC(=O)Cn1cc(C(=O)N2CCC3(CC2)OCc2ccccc23)c2ccc(Cl)cc21
InChIInChI=1S/C27H31ClN4O3/c1-30(2)14-11-29-25(33)17-32-16-22(21-8-7-20(28)15-24(21)32)26(34)31-12-9-27(10-13-31)23-6-4-3-5-19(23)18-35-27/h3-8,15-16H,9-14,17-18H2,1-2H3,(H,29,33)
InChIKeyPBKAJAPAHGAIKS-UHFFFAOYSA-N
MW495.02 g/mol
LogP3.63
Rot. Bonds6

About 2-[6-chloro-3-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)indol-1-yl]-N-[2-(dimethylamino)ethyl]acetamide

2-[6-chloro-3-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)indol-1-yl]-N-[2-(dimethylamino)ethyl]acetamide (PubChem CID 59657559) has the molecular formula C27H31ClN4O3 and a molecular weight of 495.02 g/mol. Its IUPAC name is 2-[6-chloro-3-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)indol-1-yl]-N-[2-(dimethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-[6-chloro-3-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)indol-1-yl]-N-[2-(dimethylamino)ethyl]acetamide
PubChem CID59657559
Molecular FormulaC27H31ClN4O3
Molecular Weight495.02 g/mol
Exact Mass494.21
IUPAC Name2-[6-chloro-3-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)indol-1-yl]-N-[2-(dimethylamino)ethyl]acetamide
SMILESCN(C)CCNC(=O)Cn1cc(C(=O)N2CCC3(CC2)OCc2ccccc23)c2ccc(Cl)cc21
InChIInChI=1S/C27H31ClN4O3/c1-30(2)14-11-29-25(33)17-32-16-22(21-8-7-20(28)15-24(21)32)26(34)31-12-9-27(10-13-31)23-6-4-3-5-19(23)18-35-27/h3-8,15-16H,9-14,17-18H2,1-2H3,(H,29,33)
InChIKeyPBKAJAPAHGAIKS-UHFFFAOYSA-N
XLogP3.63
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.02
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[6-chloro-3-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)indol-1-yl]-N-[2-(dimethylamino)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-3-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)indol-1-yl]-N-[2-(dimethylamino)ethyl]acetamide?
The IUPAC name of 2-[6-chloro-3-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)indol-1-yl]-N-[2-(dimethylamino)ethyl]acetamide (CID 59657559) is 2-[6-chloro-3-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)indol-1-yl]-N-[2-(dimethylamino)ethyl]acetamide.
What is the SMILES notation for 2-[6-chloro-3-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)indol-1-yl]-N-[2-(dimethylamino)ethyl]acetamide?
The canonical SMILES for 2-[6-chloro-3-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)indol-1-yl]-N-[2-(dimethylamino)ethyl]acetamide is CN(C)CCNC(=O)Cn1cc(C(=O)N2CCC3(CC2)OCc2ccccc23)c2ccc(Cl)cc21.
What is the InChIKey of 2-[6-chloro-3-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)indol-1-yl]-N-[2-(dimethylamino)ethyl]acetamide?
The InChIKey is PBKAJAPAHGAIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31ClN4O3/c1-30(2)14-11-29-25(33)17-32-16-22(21-8-7-20(28)15-24(21)32)26(34)31-12-9-27(10-13-31)23-6-4-3-5-19(23)18-35-27/h3-8,15-16H,9-14,17-18H2,1-2H3,(H,29,33).
What are the key properties of 2-[6-chloro-3-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)indol-1-yl]-N-[2-(dimethylamino)ethyl]acetamide?
2-[6-chloro-3-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)indol-1-yl]-N-[2-(dimethylamino)ethyl]acetamide has a molecular weight of 495.02 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-3-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)indol-1-yl]-N-[2-(dimethylamino)ethyl]acetamide is sourced from PubChem (CID 59657559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).