1-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-3-pyridin-2-ylpropan-1-one

C29H33N3O3 — CID 134809771

IUPAC1-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-3-pyridin-2-ylpropan-1-one
SMILESCOc1cc2c(cc1OCc1ccccc1)N(C(=O)CCc1ccccn1)CC21CCN(C)CC1
InChIInChI=1S/C29H33N3O3/c1-31-16-13-29(14-17-31)21-32(28(33)12-11-23-10-6-7-15-30-23)25-19-27(26(34-2)18-24(25)29)35-20-22-8-4-3-5-9-22/h3-10,15,18-19H,11-14,16-17,20-21H2,1-2H3
InChIKeyHVOXKMHBNSTMDC-UHFFFAOYSA-N
MW471.60 g/mol
LogP4.61
Rot. Bonds7

About 1-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-3-pyridin-2-ylpropan-1-one

1-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-3-pyridin-2-ylpropan-1-one (PubChem CID 134809771) has the molecular formula C29H33N3O3 and a molecular weight of 471.60 g/mol. Its IUPAC name is 1-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-3-pyridin-2-ylpropan-1-one.

Molecular Properties

Compound Name1-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-3-pyridin-2-ylpropan-1-one
PubChem CID134809771
Molecular FormulaC29H33N3O3
Molecular Weight471.60 g/mol
Exact Mass471.25
IUPAC Name1-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-3-pyridin-2-ylpropan-1-one
SMILESCOc1cc2c(cc1OCc1ccccc1)N(C(=O)CCc1ccccn1)CC21CCN(C)CC1
InChIInChI=1S/C29H33N3O3/c1-31-16-13-29(14-17-31)21-32(28(33)12-11-23-10-6-7-15-30-23)25-19-27(26(34-2)18-24(25)29)35-20-22-8-4-3-5-9-22/h3-10,15,18-19H,11-14,16-17,20-21H2,1-2H3
InChIKeyHVOXKMHBNSTMDC-UHFFFAOYSA-N
XLogP4.61
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.60
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(benzyloxy)-6-methoxy-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1H-indole
CID 24768495
20-[3-(Dimethylamino)propyl]-16,17-dimethoxy-5,7-dioxa-11,20-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-21-one
CID 11988333
1-Butyl-3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyridin-4-ylmethyl)pyrrolidin-2-one
CID 44353102
1-(Cyclohexylmethyl)-3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyridin-4-ylmethyl)pyrrolidin-2-one
CID 44353113
3-(3-Cyclopentyloxy-4-methoxyphenyl)-1,3-bis(pyridin-4-ylmethyl)pyrrolidin-2-one
CID 44353125
1-Benzyl-3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyridin-4-ylmethyl)pyrrolidin-2-one
CID 44353133
2-[(Dimethylamino)methyl]-6,9-dioxa-13,24-diazahexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3,5(10),11,13,15,17,19,21-nonaen-23-one
CID 49863712
Strynuxline A
CID 71304835
3-(4-((6,7-Dimethoxyquinolin-4-yl)oxy)phenyl)-1-phenylpyridin-2(1H)-one (12)
CID 118987429
3-(4-((6,7-Dimethoxyquinolin-4-yl)oxy)phenyl)-1-(4-methoxyphenyl)pyridin-2(1H)-one (14)
CID 118987431
3-(4-((6,7-Dimethoxyquinolin-4-yl)oxy)phenyl)-1-(3-methoxyphenyl)pyridin-2(1H)-one (15)
CID 118987432
1-Benzyl-3-(4-((6,7-dimethoxyquinolin-4-yl)oxy)phenyl)pyridin-2(1H)-one (18)
CID 118987435

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-3-pyridin-2-ylpropan-1-one?
The IUPAC name of 1-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-3-pyridin-2-ylpropan-1-one (CID 134809771) is 1-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-3-pyridin-2-ylpropan-1-one.
What is the SMILES notation for 1-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-3-pyridin-2-ylpropan-1-one?
The canonical SMILES for 1-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-3-pyridin-2-ylpropan-1-one is COc1cc2c(cc1OCc1ccccc1)N(C(=O)CCc1ccccn1)CC21CCN(C)CC1.
What is the InChIKey of 1-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-3-pyridin-2-ylpropan-1-one?
The InChIKey is HVOXKMHBNSTMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O3/c1-31-16-13-29(14-17-31)21-32(28(33)12-11-23-10-6-7-15-30-23)25-19-27(26(34-2)18-24(25)29)35-20-22-8-4-3-5-9-22/h3-10,15,18-19H,11-14,16-17,20-21H2,1-2H3.
What are the key properties of 1-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-3-pyridin-2-ylpropan-1-one?
1-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-3-pyridin-2-ylpropan-1-one has a molecular weight of 471.60 g/mol, XLogP of 4.61, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-3-pyridin-2-ylpropan-1-one is sourced from PubChem (CID 134809771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).