(3-methoxy-4-methylphenyl)-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone

C24H26N2O3 — CID 135120527

IUPAC(3-methoxy-4-methylphenyl)-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone
SMILESCOc1cc(C(=O)N2CCC3(CC2)OCCc2c3[nH]c3ccccc23)ccc1C
InChIInChI=1S/C24H26N2O3/c1-16-7-8-17(15-21(16)28-2)23(27)26-12-10-24(11-13-26)22-19(9-14-29-24)18-5-3-4-6-20(18)25-22/h3-8,15,25H,9-14H2,1-2H3
InChIKeyWNCSFVPRGQNAJB-UHFFFAOYSA-N
MW390.48 g/mol
LogP4.19
Rot. Bonds2

About (3-methoxy-4-methylphenyl)-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone

(3-methoxy-4-methylphenyl)-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone (PubChem CID 135120527) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is (3-methoxy-4-methylphenyl)-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone.

Molecular Properties

Compound Name(3-methoxy-4-methylphenyl)-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone
PubChem CID135120527
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name(3-methoxy-4-methylphenyl)-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone
SMILESCOc1cc(C(=O)N2CCC3(CC2)OCCc2c3[nH]c3ccccc23)ccc1C
InChIInChI=1S/C24H26N2O3/c1-16-7-8-17(15-21(16)28-2)23(27)26-12-10-24(11-13-26)22-19(9-14-29-24)18-5-3-4-6-20(18)25-22/h3-8,15,25H,9-14H2,1-2H3
InChIKeyWNCSFVPRGQNAJB-UHFFFAOYSA-N
XLogP4.19
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxyphenoxy)-1-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylethanone
CID 135112568
(2,3-dimethylphenyl)-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone
CID 135094809
(5-chloro-3-pyridinyl)-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone
CID 163310377
1-[3-(spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-carbonyl)phenyl]pyrrolidin-2-one
CID 162632892
2-(2-methylphenyl)-1-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylethanone
CID 135101019
1-[5-(spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-carbonyl)thiophen-2-yl]ethanone
CID 135119539
(2-cyclopropylpyrimidin-5-yl)-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone
CID 135101723
acetic acid;3-amino-1-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpropan-1-one
CID 154916173
(2-morpholin-4-ylphenyl)-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone
CID 162632741
oxolan-3-yl(spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-yl)methanone
CID 135091683
(2S)-2-(methylamino)-1-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpropan-1-one;hydrochloride
CID 154915929
3-methyl-5-oxo-5-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpentanoic acid
CID 126473402

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-4-methylphenyl)-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone?
The IUPAC name of (3-methoxy-4-methylphenyl)-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone (CID 135120527) is (3-methoxy-4-methylphenyl)-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone.
What is the SMILES notation for (3-methoxy-4-methylphenyl)-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone?
The canonical SMILES for (3-methoxy-4-methylphenyl)-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone is COc1cc(C(=O)N2CCC3(CC2)OCCc2c3[nH]c3ccccc23)ccc1C.
What is the InChIKey of (3-methoxy-4-methylphenyl)-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone?
The InChIKey is WNCSFVPRGQNAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-16-7-8-17(15-21(16)28-2)23(27)26-12-10-24(11-13-26)22-19(9-14-29-24)18-5-3-4-6-20(18)25-22/h3-8,15,25H,9-14H2,1-2H3.
What are the key properties of (3-methoxy-4-methylphenyl)-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone?
(3-methoxy-4-methylphenyl)-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone has a molecular weight of 390.48 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-4-methylphenyl)-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone is sourced from PubChem (CID 135120527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).