1,7-diphenyl-4-(4-piperidin-1-ylphenyl)heptane-2,6-dione

C30H33NO2 — CID 146916690

IUPAC1,7-diphenyl-4-(4-piperidin-1-ylphenyl)heptane-2,6-dione
SMILESO=C(Cc1ccccc1)CC(CC(=O)Cc1ccccc1)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C30H33NO2/c32-29(20-24-10-4-1-5-11-24)22-27(23-30(33)21-25-12-6-2-7-13-25)26-14-16-28(17-15-26)31-18-8-3-9-19-31/h1-2,4-7,10-17,27H,3,8-9,18-23H2
InChIKeyACJDKQQBRNTXMD-UHFFFAOYSA-N
MW439.60 g/mol
LogP6.16
Rot. Bonds10

About 1,7-diphenyl-4-(4-piperidin-1-ylphenyl)heptane-2,6-dione

1,7-diphenyl-4-(4-piperidin-1-ylphenyl)heptane-2,6-dione (PubChem CID 146916690) has the molecular formula C30H33NO2 and a molecular weight of 439.60 g/mol. Its IUPAC name is 1,7-diphenyl-4-(4-piperidin-1-ylphenyl)heptane-2,6-dione.

Molecular Properties

Compound Name1,7-diphenyl-4-(4-piperidin-1-ylphenyl)heptane-2,6-dione
PubChem CID146916690
Molecular FormulaC30H33NO2
Molecular Weight439.60 g/mol
Exact Mass439.25
IUPAC Name1,7-diphenyl-4-(4-piperidin-1-ylphenyl)heptane-2,6-dione
SMILESO=C(Cc1ccccc1)CC(CC(=O)Cc1ccccc1)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C30H33NO2/c32-29(20-24-10-4-1-5-11-24)22-27(23-30(33)21-25-12-6-2-7-13-25)26-14-16-28(17-15-26)31-18-8-3-9-19-31/h1-2,4-7,10-17,27H,3,8-9,18-23H2
InChIKeyACJDKQQBRNTXMD-UHFFFAOYSA-N
XLogP6.16
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.60
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 1,7-diphenyl-4-(4-piperidin-1-ylphenyl)heptane-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-bromophenyl)-1,7-diphenylheptane-2,6-dione;1,7-diphenyl-4-(4-piperidin-1-ylphenyl)heptane-2,6-dione;1,7-diphenyl-4-(4-pyrrolidin-1-ylphenyl)heptane-2,6-dione;4-(4-hydroxyphenyl)-1,7-diphenylheptane-2,6-dione;4-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,7-diphenylheptane-2,6-dione
CID 159067445
N-[4-(azepan-1-yl)phenyl]-2-phenylacetamide
CID 16620353
1-(4-pentan-3-ylphenyl)piperidine
CID 170127380
(1R,2S)-1-phenyl-2-(4-piperidin-1-ylphenyl)ethane-1,2-diol
CID 102036092
2-phenyl-3-(4-piperidin-1-ylphenyl)propanoic acid
CID 82160408
1-(4-pentan-3-ylphenyl)pyrrolidine
CID 168513845
(3R)-3-amino-3-(4-piperidin-1-ylphenyl)propanoic acid;hydrochloride
CID 162344541
1-(azepan-1-yl)-3-phenylpropan-2-one
CID 43794492
2-(4-pyrrolidin-1-ylphenyl)butanedioic acid
CID 168515530
2-(4-pyrrolidin-1-ylphenyl)butanoic acid
CID 19599631
3-amino-3-(4-pyrrolidin-1-ylphenyl)propanoic acid
CID 53417398
2-[4-(azepan-1-yl)phenyl]-N-hydroxy-2-phenylacetamide
CID 135320152

Frequently Asked Questions

What is the IUPAC name of 1,7-diphenyl-4-(4-piperidin-1-ylphenyl)heptane-2,6-dione?
The IUPAC name of 1,7-diphenyl-4-(4-piperidin-1-ylphenyl)heptane-2,6-dione (CID 146916690) is 1,7-diphenyl-4-(4-piperidin-1-ylphenyl)heptane-2,6-dione.
What is the SMILES notation for 1,7-diphenyl-4-(4-piperidin-1-ylphenyl)heptane-2,6-dione?
The canonical SMILES for 1,7-diphenyl-4-(4-piperidin-1-ylphenyl)heptane-2,6-dione is O=C(Cc1ccccc1)CC(CC(=O)Cc1ccccc1)c1ccc(N2CCCCC2)cc1.
What is the InChIKey of 1,7-diphenyl-4-(4-piperidin-1-ylphenyl)heptane-2,6-dione?
The InChIKey is ACJDKQQBRNTXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33NO2/c32-29(20-24-10-4-1-5-11-24)22-27(23-30(33)21-25-12-6-2-7-13-25)26-14-16-28(17-15-26)31-18-8-3-9-19-31/h1-2,4-7,10-17,27H,3,8-9,18-23H2.
What are the key properties of 1,7-diphenyl-4-(4-piperidin-1-ylphenyl)heptane-2,6-dione?
1,7-diphenyl-4-(4-piperidin-1-ylphenyl)heptane-2,6-dione has a molecular weight of 439.60 g/mol, XLogP of 6.16, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-diphenyl-4-(4-piperidin-1-ylphenyl)heptane-2,6-dione is sourced from PubChem (CID 146916690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).