4-[1-benzoyl-6-(4-methoxyphenyl)piperidin-2-yl]benzaldehyde

C26H25NO3 — CID 126657946

IUPAC4-[1-benzoyl-6-(4-methoxyphenyl)piperidin-2-yl]benzaldehyde
SMILESCOc1ccc(C2CCCC(c3ccc(C=O)cc3)N2C(=O)c2ccccc2)cc1
InChIInChI=1S/C26H25NO3/c1-30-23-16-14-21(15-17-23)25-9-5-8-24(20-12-10-19(18-28)11-13-20)27(25)26(29)22-6-3-2-4-7-22/h2-4,6-7,10-18,24-25H,5,8-9H2,1H3
InChIKeyKQTALANJOXDUJO-UHFFFAOYSA-N
MW399.49 g/mol
LogP5.62
Rot. Bonds5

About 4-[1-benzoyl-6-(4-methoxyphenyl)piperidin-2-yl]benzaldehyde

4-[1-benzoyl-6-(4-methoxyphenyl)piperidin-2-yl]benzaldehyde (PubChem CID 126657946) has the molecular formula C26H25NO3 and a molecular weight of 399.49 g/mol. Its IUPAC name is 4-[1-benzoyl-6-(4-methoxyphenyl)piperidin-2-yl]benzaldehyde.

Molecular Properties

Compound Name4-[1-benzoyl-6-(4-methoxyphenyl)piperidin-2-yl]benzaldehyde
PubChem CID126657946
Molecular FormulaC26H25NO3
Molecular Weight399.49 g/mol
Exact Mass399.18
IUPAC Name4-[1-benzoyl-6-(4-methoxyphenyl)piperidin-2-yl]benzaldehyde
SMILESCOc1ccc(C2CCCC(c3ccc(C=O)cc3)N2C(=O)c2ccccc2)cc1
InChIInChI=1S/C26H25NO3/c1-30-23-16-14-21(15-17-23)25-9-5-8-24(20-12-10-19(18-28)11-13-20)27(25)26(29)22-6-3-2-4-7-22/h2-4,6-7,10-18,24-25H,5,8-9H2,1H3
InChIKeyKQTALANJOXDUJO-UHFFFAOYSA-N
XLogP5.62
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.49
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-[(E)-2-(4-formylphenyl)-2-(4-methoxyphenyl)-1-phenylethenyl]benzaldehyde
CID 102406735
1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-4-phenylbutane-1,4-dione
CID 51254000
9-(4-methoxybenzoyl)-9-azabicyclo[3.3.1]nonan-3-one
CID 134795364
4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 46780459
(2R)-2-(4-methoxyphenyl)-1-phenylpyrrolidine
CID 134967090
[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 26663793
[3-(4-methoxyphenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 3753761
1-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 94457866
(4R,5R)-3-benzoyl-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazolidine-5-carboxylic acid
CID 126963434
4-(4-methoxybenzoyl)benzaldehyde
CID 56593020
4-methoxybenzaldehyde;toluene
CID 174462701
4-(N-[4-(N-(4-methoxyphenyl)anilino)phenyl]anilino)benzaldehyde
CID 22973932

Frequently Asked Questions

What is the IUPAC name of 4-[1-benzoyl-6-(4-methoxyphenyl)piperidin-2-yl]benzaldehyde?
The IUPAC name of 4-[1-benzoyl-6-(4-methoxyphenyl)piperidin-2-yl]benzaldehyde (CID 126657946) is 4-[1-benzoyl-6-(4-methoxyphenyl)piperidin-2-yl]benzaldehyde.
What is the SMILES notation for 4-[1-benzoyl-6-(4-methoxyphenyl)piperidin-2-yl]benzaldehyde?
The canonical SMILES for 4-[1-benzoyl-6-(4-methoxyphenyl)piperidin-2-yl]benzaldehyde is COc1ccc(C2CCCC(c3ccc(C=O)cc3)N2C(=O)c2ccccc2)cc1.
What is the InChIKey of 4-[1-benzoyl-6-(4-methoxyphenyl)piperidin-2-yl]benzaldehyde?
The InChIKey is KQTALANJOXDUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO3/c1-30-23-16-14-21(15-17-23)25-9-5-8-24(20-12-10-19(18-28)11-13-20)27(25)26(29)22-6-3-2-4-7-22/h2-4,6-7,10-18,24-25H,5,8-9H2,1H3.
What are the key properties of 4-[1-benzoyl-6-(4-methoxyphenyl)piperidin-2-yl]benzaldehyde?
4-[1-benzoyl-6-(4-methoxyphenyl)piperidin-2-yl]benzaldehyde has a molecular weight of 399.49 g/mol, XLogP of 5.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-benzoyl-6-(4-methoxyphenyl)piperidin-2-yl]benzaldehyde is sourced from PubChem (CID 126657946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).