1H-indol-3-yl(spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl)methanone

C21H20N2O2 — CID 15952131

IUPAC1H-indol-3-yl(spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl)methanone
SMILESO=C(c1c[nH]c2ccccc12)N1CCC2(CC1)COc1ccccc12
InChIInChI=1S/C21H20N2O2/c24-20(16-13-22-18-7-3-1-5-15(16)18)23-11-9-21(10-12-23)14-25-19-8-4-2-6-17(19)21/h1-8,13,22H,9-12,14H2
InChIKeyJNTGBZJXVPNMFD-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.73
Rot. Bonds1

About 1H-indol-3-yl(spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl)methanone

1H-indol-3-yl(spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl)methanone (PubChem CID 15952131) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1H-indol-3-yl(spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl)methanone.

Molecular Properties

Compound Name1H-indol-3-yl(spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl)methanone
PubChem CID15952131
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name1H-indol-3-yl(spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl)methanone
SMILESO=C(c1c[nH]c2ccccc12)N1CCC2(CC1)COc1ccccc12
InChIInChI=1S/C21H20N2O2/c24-20(16-13-22-18-7-3-1-5-15(16)18)23-11-9-21(10-12-23)14-25-19-8-4-2-6-17(19)21/h1-8,13,22H,9-12,14H2
InChIKeyJNTGBZJXVPNMFD-UHFFFAOYSA-N
XLogP3.73
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1H-indol-3-yl(spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl)methanone 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

1H-indol-3-yl(morpholin-4-yl)methanone
CID 1481812
(3,3-dimethylpyrrolidin-1-yl)-(1H-indol-3-yl)methanone
CID 79036861
(4,4-dimethylazepan-1-yl)-(1H-indol-3-yl)methanone
CID 65281682
1H-indol-3-yl-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone
CID 50985596
(6-methoxy-1H-indol-2-yl)-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylmethanone
CID 59740550
1H-indol-3-yl-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 91917986
piperazin-1-yl-(6-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylpyridazin-3-yl)methanone
CID 167776157
(5-propan-2-yloxy-1H-indol-2-yl)-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylmethanone
CID 59740561
cyclopentyl-[4-(1H-indole-3-carbonyl)piperazin-1-yl]methanone
CID 110801628
cyclopropyl-[4-(1H-indole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 49206253
1-[4-(1H-indole-3-carbonyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 110803979
(3,3-dimethylpiperazin-1-yl)-(1H-indol-3-yl)methanone
CID 115273190

Frequently Asked Questions

What is the IUPAC name of 1H-indol-3-yl(spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl)methanone?
The IUPAC name of 1H-indol-3-yl(spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl)methanone (CID 15952131) is 1H-indol-3-yl(spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl)methanone.
What is the SMILES notation for 1H-indol-3-yl(spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl)methanone?
The canonical SMILES for 1H-indol-3-yl(spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl)methanone is O=C(c1c[nH]c2ccccc12)N1CCC2(CC1)COc1ccccc12.
What is the InChIKey of 1H-indol-3-yl(spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl)methanone?
The InChIKey is JNTGBZJXVPNMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c24-20(16-13-22-18-7-3-1-5-15(16)18)23-11-9-21(10-12-23)14-25-19-8-4-2-6-17(19)21/h1-8,13,22H,9-12,14H2.
What are the key properties of 1H-indol-3-yl(spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl)methanone?
1H-indol-3-yl(spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl)methanone has a molecular weight of 332.40 g/mol, XLogP of 3.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-3-yl(spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl)methanone is sourced from PubChem (CID 15952131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).