1-(4-phenylpiperidin-1-yl)ethanone;4-piperidin-4-ylbenzoic acid

C25H32N2O3 — CID 158544804

IUPAC1-(4-phenylpiperidin-1-yl)ethanone;4-piperidin-4-ylbenzoic acid
SMILESCC(=O)N1CCC(c2ccccc2)CC1.O=C(O)c1ccc(C2CCNCC2)cc1
InChIInChI=1S/C13H17NO.C12H15NO2/c1-11(15)14-9-7-13(8-10-14)12-5-3-2-4-6-12;14-12(15)11-3-1-9(2-4-11)10-5-7-13-8-6-10/h2-6,13H,7-10H2,1H3;1-4,10,13H,5-8H2,(H,14,15)
InChIKeyHOZCCECWWGUDRG-UHFFFAOYSA-N
MW408.54 g/mol
LogP4.26
Rot. Bonds3

About 1-(4-phenylpiperidin-1-yl)ethanone;4-piperidin-4-ylbenzoic acid

1-(4-phenylpiperidin-1-yl)ethanone;4-piperidin-4-ylbenzoic acid (PubChem CID 158544804) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is 1-(4-phenylpiperidin-1-yl)ethanone;4-piperidin-4-ylbenzoic acid.

Molecular Properties

Compound Name1-(4-phenylpiperidin-1-yl)ethanone;4-piperidin-4-ylbenzoic acid
PubChem CID158544804
Molecular FormulaC25H32N2O3
Molecular Weight408.54 g/mol
Exact Mass408.24
IUPAC Name1-(4-phenylpiperidin-1-yl)ethanone;4-piperidin-4-ylbenzoic acid
SMILESCC(=O)N1CCC(c2ccccc2)CC1.O=C(O)c1ccc(C2CCNCC2)cc1
InChIInChI=1S/C13H17NO.C12H15NO2/c1-11(15)14-9-7-13(8-10-14)12-5-3-2-4-6-12;14-12(15)11-3-1-9(2-4-11)10-5-7-13-8-6-10/h2-6,13H,7-10H2,1H3;1-4,10,13H,5-8H2,(H,14,15)
InChIKeyHOZCCECWWGUDRG-UHFFFAOYSA-N
XLogP4.26
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.54
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4-phenylpiperidin-1-yl)ethanone;4-piperidin-4-ylbenzoic acid 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

methanamine;4-phenylpiperidine
CID 143444696
(4-phenylpiperidin-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
CID 119703069
1-(4-phenylpiperidin-1-yl)-2-piperazin-1-ylethanone
CID 22355892
1-(4-phenylpiperidin-1-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119703057
1-[4-phenyl-4-(4-phenylpiperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 39581896
tert-butyl 3-phenylpyrrolidine-1-carboxylate;ethane;3-phenylpyrrolidine
CID 158730195
4-phenylpiperidine;sulfane;hydrochloride
CID 174499697
4-phenylpiperidine-1-carbothioic S-acid
CID 174725157
1-[4-(3-phenylpyrrolidine-1-carbonyl)phenyl]ethanone
CID 43926531
4-[1-(2-ethylbenzoyl)pyrrolidin-3-yl]benzoic acid
CID 56915433
4-(1-benzylpiperidin-4-yl)benzoic acid
CID 125492559
2-[4-(1-acetylpiperidin-4-yl)phenyl]propanoic acid
CID 154252055

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylpiperidin-1-yl)ethanone;4-piperidin-4-ylbenzoic acid?
The IUPAC name of 1-(4-phenylpiperidin-1-yl)ethanone;4-piperidin-4-ylbenzoic acid (CID 158544804) is 1-(4-phenylpiperidin-1-yl)ethanone;4-piperidin-4-ylbenzoic acid.
What is the SMILES notation for 1-(4-phenylpiperidin-1-yl)ethanone;4-piperidin-4-ylbenzoic acid?
The canonical SMILES for 1-(4-phenylpiperidin-1-yl)ethanone;4-piperidin-4-ylbenzoic acid is CC(=O)N1CCC(c2ccccc2)CC1.O=C(O)c1ccc(C2CCNCC2)cc1.
What is the InChIKey of 1-(4-phenylpiperidin-1-yl)ethanone;4-piperidin-4-ylbenzoic acid?
The InChIKey is HOZCCECWWGUDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO.C12H15NO2/c1-11(15)14-9-7-13(8-10-14)12-5-3-2-4-6-12;14-12(15)11-3-1-9(2-4-11)10-5-7-13-8-6-10/h2-6,13H,7-10H2,1H3;1-4,10,13H,5-8H2,(H,14,15).
What are the key properties of 1-(4-phenylpiperidin-1-yl)ethanone;4-piperidin-4-ylbenzoic acid?
1-(4-phenylpiperidin-1-yl)ethanone;4-piperidin-4-ylbenzoic acid has a molecular weight of 408.54 g/mol, XLogP of 4.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylpiperidin-1-yl)ethanone;4-piperidin-4-ylbenzoic acid is sourced from PubChem (CID 158544804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).