6-methoxy-1'-[4-(3-piperidin-1-ylpropoxy)phenyl]spiro[2-benzofuran-3,4'-piperidine]-1-one

C27H34N2O4 — CID 66783820

IUPAC6-methoxy-1'-[4-(3-piperidin-1-ylpropoxy)phenyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESCOc1ccc2c(c1)C(=O)OC21CCN(c2ccc(OCCCN3CCCCC3)cc2)CC1
InChIInChI=1S/C27H34N2O4/c1-31-23-10-11-25-24(20-23)26(30)33-27(25)12-17-29(18-13-27)21-6-8-22(9-7-21)32-19-5-16-28-14-3-2-4-15-28/h6-11,20H,2-5,12-19H2,1H3
InChIKeyUWUAJDARFSLFOO-UHFFFAOYSA-N
MW450.58 g/mol
LogP4.62
Rot. Bonds7

About 6-methoxy-1'-[4-(3-piperidin-1-ylpropoxy)phenyl]spiro[2-benzofuran-3,4'-piperidine]-1-one

6-methoxy-1'-[4-(3-piperidin-1-ylpropoxy)phenyl]spiro[2-benzofuran-3,4'-piperidine]-1-one (PubChem CID 66783820) has the molecular formula C27H34N2O4 and a molecular weight of 450.58 g/mol. Its IUPAC name is 6-methoxy-1'-[4-(3-piperidin-1-ylpropoxy)phenyl]spiro[2-benzofuran-3,4'-piperidine]-1-one.

Molecular Properties

Compound Name6-methoxy-1'-[4-(3-piperidin-1-ylpropoxy)phenyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
PubChem CID66783820
Molecular FormulaC27H34N2O4
Molecular Weight450.58 g/mol
Exact Mass450.25
IUPAC Name6-methoxy-1'-[4-(3-piperidin-1-ylpropoxy)phenyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESCOc1ccc2c(c1)C(=O)OC21CCN(c2ccc(OCCCN3CCCCC3)cc2)CC1
InChIInChI=1S/C27H34N2O4/c1-31-23-10-11-25-24(20-23)26(30)33-27(25)12-17-29(18-13-27)21-6-8-22(9-7-21)32-19-5-16-28-14-3-2-4-15-28/h6-11,20H,2-5,12-19H2,1H3
InChIKeyUWUAJDARFSLFOO-UHFFFAOYSA-N
XLogP4.62
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.58
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-methoxy-1'-[4-(3-piperidin-1-ylpropoxy)phenyl]spiro[2-benzofuran-3,4'-piperidine]-1-one;2,2,2-trifluoroacetic acid
CID 66783819
4-(3-methoxyphenyl)-1-[4-(3-piperidin-1-ylpropoxy)phenyl]piperidin-4-ol
CID 66783418
8-[4-(3-piperidin-1-ylpropoxy)phenyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 66783967
methanamine;5-methoxy-N-methyl-3-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide
CID 158594299
4-ethyl-9-[4-(3-piperidin-1-ylpropoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 66784198
6-methoxy-1'-(4'-oxospiro[1,3-dihydroindene-2,5'-1,3-oxazole]-2'-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 118174284
5-methoxy-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carboxylic acid
CID 141133258
5-ethoxy-N-methyl-3-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide
CID 11596479
1-[4-(3-piperidin-1-ylpropoxy)phenyl]piperidine-4-carbaldehyde
CID 87150007
1-[3-(3-methoxyphenoxy)propyl]azepane;oxalic acid
CID 2944095
6-hydroxy-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;6-methoxy-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 158166051
1-(4-methoxyphenyl)-4-(2-piperidin-1-ylethyl)piperazine
CID 1439447

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1'-[4-(3-piperidin-1-ylpropoxy)phenyl]spiro[2-benzofuran-3,4'-piperidine]-1-one?
The IUPAC name of 6-methoxy-1'-[4-(3-piperidin-1-ylpropoxy)phenyl]spiro[2-benzofuran-3,4'-piperidine]-1-one (CID 66783820) is 6-methoxy-1'-[4-(3-piperidin-1-ylpropoxy)phenyl]spiro[2-benzofuran-3,4'-piperidine]-1-one.
What is the SMILES notation for 6-methoxy-1'-[4-(3-piperidin-1-ylpropoxy)phenyl]spiro[2-benzofuran-3,4'-piperidine]-1-one?
The canonical SMILES for 6-methoxy-1'-[4-(3-piperidin-1-ylpropoxy)phenyl]spiro[2-benzofuran-3,4'-piperidine]-1-one is COc1ccc2c(c1)C(=O)OC21CCN(c2ccc(OCCCN3CCCCC3)cc2)CC1.
What is the InChIKey of 6-methoxy-1'-[4-(3-piperidin-1-ylpropoxy)phenyl]spiro[2-benzofuran-3,4'-piperidine]-1-one?
The InChIKey is UWUAJDARFSLFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O4/c1-31-23-10-11-25-24(20-23)26(30)33-27(25)12-17-29(18-13-27)21-6-8-22(9-7-21)32-19-5-16-28-14-3-2-4-15-28/h6-11,20H,2-5,12-19H2,1H3.
What are the key properties of 6-methoxy-1'-[4-(3-piperidin-1-ylpropoxy)phenyl]spiro[2-benzofuran-3,4'-piperidine]-1-one?
6-methoxy-1'-[4-(3-piperidin-1-ylpropoxy)phenyl]spiro[2-benzofuran-3,4'-piperidine]-1-one has a molecular weight of 450.58 g/mol, XLogP of 4.62, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1'-[4-(3-piperidin-1-ylpropoxy)phenyl]spiro[2-benzofuran-3,4'-piperidine]-1-one is sourced from PubChem (CID 66783820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).