4-phenyl-2-[2-(2-phenylethyl)piperidin-1-yl]pyrimidine-5-carboxylic acid

C24H25N3O2 — CID 110167536

IUPAC4-phenyl-2-[2-(2-phenylethyl)piperidin-1-yl]pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(N2CCCCC2CCc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C24H25N3O2/c28-23(29)21-17-25-24(26-22(21)19-11-5-2-6-12-19)27-16-8-7-13-20(27)15-14-18-9-3-1-4-10-18/h1-6,9-12,17,20H,7-8,13-16H2,(H,28,29)
InChIKeyRLAMSBWQGMHYPK-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.83
Rot. Bonds6

About 4-phenyl-2-[2-(2-phenylethyl)piperidin-1-yl]pyrimidine-5-carboxylic acid

4-phenyl-2-[2-(2-phenylethyl)piperidin-1-yl]pyrimidine-5-carboxylic acid (PubChem CID 110167536) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 4-phenyl-2-[2-(2-phenylethyl)piperidin-1-yl]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-phenyl-2-[2-(2-phenylethyl)piperidin-1-yl]pyrimidine-5-carboxylic acid
PubChem CID110167536
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name4-phenyl-2-[2-(2-phenylethyl)piperidin-1-yl]pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(N2CCCCC2CCc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C24H25N3O2/c28-23(29)21-17-25-24(26-22(21)19-11-5-2-6-12-19)27-16-8-7-13-20(27)15-14-18-9-3-1-4-10-18/h1-6,9-12,17,20H,7-8,13-16H2,(H,28,29)
InChIKeyRLAMSBWQGMHYPK-UHFFFAOYSA-N
XLogP4.83
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-phenyl-2-[2-(2-phenylethyl)piperidin-1-yl]pyrimidine-5-carboxylic 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

2-[2-(2-phenylethyl)piperidin-1-yl]-4-(3-phenylpropyl)pyrimidine-5-carboxylic acid
CID 110161719
4-[2-(4-methoxyphenyl)ethyl]-2-[2-(2-phenylethyl)piperidin-1-yl]pyrimidine-5-carboxylic acid
CID 110161731
2-(2-benzylpiperidin-1-yl)-4-[3-(N-methylanilino)propyl]pyrimidine-5-carboxylic acid
CID 132779316
2-(2-ethylazepan-1-yl)-4-methylpyrimidine-5-carboxylic acid
CID 104690134
[(2S)-2-[2-(dimethylamino)ethyl]piperidin-1-yl]-(2-methyl-4-phenylpyrimidin-5-yl)methanone
CID 95861478
2-[(2S)-2-(2-phenylethyl)pyrrolidin-1-yl]quinoxaline
CID 97015354
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-4-phenylsulfanylpyrimidine-5-carboxylic acid
CID 22665575
1-phenyl-2-(2-phenylethyl)pyrrolidine
CID 10922989
(2-morpholin-4-ylpyrimidin-5-yl)-[(2R)-2-(2-phenylethyl)piperidin-1-yl]methanone
CID 97207141
[1-(5-phenylpyrimidin-2-yl)piperidin-2-yl]methanamine
CID 103279108
[2-(2-phenylethyl)piperidin-1-yl]-pyridazin-3-ylmethanone
CID 70764538
(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[(2R)-2-(2-phenylethyl)piperidin-1-yl]methanone
CID 97118978

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-[2-(2-phenylethyl)piperidin-1-yl]pyrimidine-5-carboxylic acid?
The IUPAC name of 4-phenyl-2-[2-(2-phenylethyl)piperidin-1-yl]pyrimidine-5-carboxylic acid (CID 110167536) is 4-phenyl-2-[2-(2-phenylethyl)piperidin-1-yl]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-phenyl-2-[2-(2-phenylethyl)piperidin-1-yl]pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-phenyl-2-[2-(2-phenylethyl)piperidin-1-yl]pyrimidine-5-carboxylic acid is O=C(O)c1cnc(N2CCCCC2CCc2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 4-phenyl-2-[2-(2-phenylethyl)piperidin-1-yl]pyrimidine-5-carboxylic acid?
The InChIKey is RLAMSBWQGMHYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c28-23(29)21-17-25-24(26-22(21)19-11-5-2-6-12-19)27-16-8-7-13-20(27)15-14-18-9-3-1-4-10-18/h1-6,9-12,17,20H,7-8,13-16H2,(H,28,29).
What are the key properties of 4-phenyl-2-[2-(2-phenylethyl)piperidin-1-yl]pyrimidine-5-carboxylic acid?
4-phenyl-2-[2-(2-phenylethyl)piperidin-1-yl]pyrimidine-5-carboxylic acid has a molecular weight of 387.48 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-[2-(2-phenylethyl)piperidin-1-yl]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 110167536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).