6-(1H-indol-2-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide

C22H23N3O2 — CID 135126324

IUPAC6-(1H-indol-2-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide
SMILESNC(=O)N1CCC2(CCc3cc(-c4cc5ccccc5[nH]4)ccc3O2)CC1
InChIInChI=1S/C22H23N3O2/c23-21(26)25-11-9-22(10-12-25)8-7-17-13-16(5-6-20(17)27-22)19-14-15-3-1-2-4-18(15)24-19/h1-6,13-14,24H,7-12H2,(H2,23,26)
InChIKeyQTLDWTOGCZULFP-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.07
Rot. Bonds1

About 6-(1H-indol-2-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide

6-(1H-indol-2-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide (PubChem CID 135126324) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 6-(1H-indol-2-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound Name6-(1H-indol-2-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide
PubChem CID135126324
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name6-(1H-indol-2-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide
SMILESNC(=O)N1CCC2(CCc3cc(-c4cc5ccccc5[nH]4)ccc3O2)CC1
InChIInChI=1S/C22H23N3O2/c23-21(26)25-11-9-22(10-12-25)8-7-17-13-16(5-6-20(17)27-22)19-14-15-3-1-2-4-18(15)24-19/h1-6,13-14,24H,7-12H2,(H2,23,26)
InChIKeyQTLDWTOGCZULFP-UHFFFAOYSA-N
XLogP4.07
TPSA71.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(1H-indol-2-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide?
The IUPAC name of 6-(1H-indol-2-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide (CID 135126324) is 6-(1H-indol-2-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for 6-(1H-indol-2-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide?
The canonical SMILES for 6-(1H-indol-2-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide is NC(=O)N1CCC2(CCc3cc(-c4cc5ccccc5[nH]4)ccc3O2)CC1.
What is the InChIKey of 6-(1H-indol-2-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide?
The InChIKey is QTLDWTOGCZULFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c23-21(26)25-11-9-22(10-12-25)8-7-17-13-16(5-6-20(17)27-22)19-14-15-3-1-2-4-18(15)24-19/h1-6,13-14,24H,7-12H2,(H2,23,26).
What are the key properties of 6-(1H-indol-2-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide?
6-(1H-indol-2-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 4.07, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-indol-2-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 135126324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).