[4-(dimethylamino)phenyl]-[3-(4-hydroxyphenyl)-2-[(2-hydroxyphenyl)methyl]-2,7-diazaspiro[3.5]nonan-7-yl]methanone

C29H33N3O3 — CID 143644263

IUPAC[4-(dimethylamino)phenyl]-[3-(4-hydroxyphenyl)-2-[(2-hydroxyphenyl)methyl]-2,7-diazaspiro[3.5]nonan-7-yl]methanone
SMILESCN(C)c1ccc(C(=O)N2CCC3(CC2)CN(Cc2ccccc2O)C3c2ccc(O)cc2)cc1
InChIInChI=1S/C29H33N3O3/c1-30(2)24-11-7-22(8-12-24)28(35)31-17-15-29(16-18-31)20-32(19-23-5-3-4-6-26(23)34)27(29)21-9-13-25(33)14-10-21/h3-14,27,33-34H,15-20H2,1-2H3
InChIKeyIKMJJMSJRNPCSV-UHFFFAOYSA-N
MW471.60 g/mol
LogP4.64
Rot. Bonds5

About [4-(dimethylamino)phenyl]-[3-(4-hydroxyphenyl)-2-[(2-hydroxyphenyl)methyl]-2,7-diazaspiro[3.5]nonan-7-yl]methanone

[4-(dimethylamino)phenyl]-[3-(4-hydroxyphenyl)-2-[(2-hydroxyphenyl)methyl]-2,7-diazaspiro[3.5]nonan-7-yl]methanone (PubChem CID 143644263) has the molecular formula C29H33N3O3 and a molecular weight of 471.60 g/mol. Its IUPAC name is [4-(dimethylamino)phenyl]-[3-(4-hydroxyphenyl)-2-[(2-hydroxyphenyl)methyl]-2,7-diazaspiro[3.5]nonan-7-yl]methanone.

Molecular Properties

Compound Name[4-(dimethylamino)phenyl]-[3-(4-hydroxyphenyl)-2-[(2-hydroxyphenyl)methyl]-2,7-diazaspiro[3.5]nonan-7-yl]methanone
PubChem CID143644263
Molecular FormulaC29H33N3O3
Molecular Weight471.60 g/mol
Exact Mass471.25
IUPAC Name[4-(dimethylamino)phenyl]-[3-(4-hydroxyphenyl)-2-[(2-hydroxyphenyl)methyl]-2,7-diazaspiro[3.5]nonan-7-yl]methanone
SMILESCN(C)c1ccc(C(=O)N2CCC3(CC2)CN(Cc2ccccc2O)C3c2ccc(O)cc2)cc1
InChIInChI=1S/C29H33N3O3/c1-30(2)24-11-7-22(8-12-24)28(35)31-17-15-29(16-18-31)20-32(19-23-5-3-4-6-26(23)34)27(29)21-9-13-25(33)14-10-21/h3-14,27,33-34H,15-20H2,1-2H3
InChIKeyIKMJJMSJRNPCSV-UHFFFAOYSA-N
XLogP4.64
TPSA67.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.60
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

[4-(dimethylamino)phenyl]-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 80718582
[4-(dimethylamino)phenyl]-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylmethanone
CID 11515524
4-[3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carbonyl]benzonitrile
CID 143644095
2-[(2,4-difluorophenyl)methyl]-3-(4-fluorophenyl)-2,7-diazaspiro[3.5]nonane-7-carboxylic acid
CID 141203929
[3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-(6-methyl-3-pyridinyl)methanone
CID 143644245
(3,5-difluorophenyl)-[3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]methanone
CID 143644042
[4-(dimethylamino)phenyl]-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone
CID 78322536
4-(dimethylamino)-N-[(2-hydroxyphenyl)methyl]benzamide
CID 110473275
[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-(4-ethylphenyl)methanone
CID 32770513
(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-(4-hydroxyphenyl)methanone
CID 72920228
[4-(dimethylamino)phenyl]-[4-(1-hydroxypropyl)piperidin-1-yl]methanone
CID 112537605
2-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]acetic acid
CID 79612502

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)phenyl]-[3-(4-hydroxyphenyl)-2-[(2-hydroxyphenyl)methyl]-2,7-diazaspiro[3.5]nonan-7-yl]methanone?
The IUPAC name of [4-(dimethylamino)phenyl]-[3-(4-hydroxyphenyl)-2-[(2-hydroxyphenyl)methyl]-2,7-diazaspiro[3.5]nonan-7-yl]methanone (CID 143644263) is [4-(dimethylamino)phenyl]-[3-(4-hydroxyphenyl)-2-[(2-hydroxyphenyl)methyl]-2,7-diazaspiro[3.5]nonan-7-yl]methanone.
What is the SMILES notation for [4-(dimethylamino)phenyl]-[3-(4-hydroxyphenyl)-2-[(2-hydroxyphenyl)methyl]-2,7-diazaspiro[3.5]nonan-7-yl]methanone?
The canonical SMILES for [4-(dimethylamino)phenyl]-[3-(4-hydroxyphenyl)-2-[(2-hydroxyphenyl)methyl]-2,7-diazaspiro[3.5]nonan-7-yl]methanone is CN(C)c1ccc(C(=O)N2CCC3(CC2)CN(Cc2ccccc2O)C3c2ccc(O)cc2)cc1.
What is the InChIKey of [4-(dimethylamino)phenyl]-[3-(4-hydroxyphenyl)-2-[(2-hydroxyphenyl)methyl]-2,7-diazaspiro[3.5]nonan-7-yl]methanone?
The InChIKey is IKMJJMSJRNPCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O3/c1-30(2)24-11-7-22(8-12-24)28(35)31-17-15-29(16-18-31)20-32(19-23-5-3-4-6-26(23)34)27(29)21-9-13-25(33)14-10-21/h3-14,27,33-34H,15-20H2,1-2H3.
What are the key properties of [4-(dimethylamino)phenyl]-[3-(4-hydroxyphenyl)-2-[(2-hydroxyphenyl)methyl]-2,7-diazaspiro[3.5]nonan-7-yl]methanone?
[4-(dimethylamino)phenyl]-[3-(4-hydroxyphenyl)-2-[(2-hydroxyphenyl)methyl]-2,7-diazaspiro[3.5]nonan-7-yl]methanone has a molecular weight of 471.60 g/mol, XLogP of 4.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)phenyl]-[3-(4-hydroxyphenyl)-2-[(2-hydroxyphenyl)methyl]-2,7-diazaspiro[3.5]nonan-7-yl]methanone is sourced from PubChem (CID 143644263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).