4-(4-benzylpiperidin-1-yl)-2-phenylpyrimidine-5-carboxylic acid

C23H23N3O2 — CID 42670559

IUPAC4-(4-benzylpiperidin-1-yl)-2-phenylpyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccccc2)nc1N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C23H23N3O2/c27-23(28)20-16-24-21(19-9-5-2-6-10-19)25-22(20)26-13-11-18(12-14-26)15-17-7-3-1-4-8-17/h1-10,16,18H,11-15H2,(H,27,28)
InChIKeyDHKLIZDDLIVHEL-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.30
Rot. Bonds5

About 4-(4-benzylpiperidin-1-yl)-2-phenylpyrimidine-5-carboxylic acid

4-(4-benzylpiperidin-1-yl)-2-phenylpyrimidine-5-carboxylic acid (PubChem CID 42670559) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 4-(4-benzylpiperidin-1-yl)-2-phenylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-(4-benzylpiperidin-1-yl)-2-phenylpyrimidine-5-carboxylic acid
PubChem CID42670559
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name4-(4-benzylpiperidin-1-yl)-2-phenylpyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccccc2)nc1N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C23H23N3O2/c27-23(28)20-16-24-21(19-9-5-2-6-10-19)25-22(20)26-13-11-18(12-14-26)15-17-7-3-1-4-8-17/h1-10,16,18H,11-15H2,(H,27,28)
InChIKeyDHKLIZDDLIVHEL-UHFFFAOYSA-N
XLogP4.30
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-4-piperidin-1-ylpyrimidine-5-carboxylic acid
CID 42669942
4-(4-benzylpiperidin-1-yl)-N-cyclohexyl-N-methyl-2-(3-methylphenyl)pyrimidine-5-carboxamide
CID 42670939
4-(4-benzylpiperidin-1-yl)-2-phenylquinazoline
CID 10177767
4-(4-benzylpiperidin-1-yl)-N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)pyrimidine-5-carboxamide
CID 42671032
[2-(4-benzylpiperidin-1-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 1441062
N-cyclohexyl-4-(4-ethylpiperazin-1-yl)-2-phenylpyrimidine-5-carboxamide
CID 46111456
2-(4-fluorophenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxylic acid
CID 42669991
2-(4-methylphenyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid
CID 42669970
N-cyclopropyl-2-phenyl-4-thiomorpholin-4-ylpyrimidine-5-carboxamide
CID 83289853
4-(4-ethylpiperazin-1-yl)-2-phenyl-N-(3-phenylpropyl)pyrimidine-5-carboxamide
CID 42882409
4-(4-benzylpiperidin-1-yl)benzoic acid
CID 22730857
5-(4-benzylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 82535114

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperidin-1-yl)-2-phenylpyrimidine-5-carboxylic acid?
The IUPAC name of 4-(4-benzylpiperidin-1-yl)-2-phenylpyrimidine-5-carboxylic acid (CID 42670559) is 4-(4-benzylpiperidin-1-yl)-2-phenylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-(4-benzylpiperidin-1-yl)-2-phenylpyrimidine-5-carboxylic acid?
The canonical SMILES for 4-(4-benzylpiperidin-1-yl)-2-phenylpyrimidine-5-carboxylic acid is O=C(O)c1cnc(-c2ccccc2)nc1N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 4-(4-benzylpiperidin-1-yl)-2-phenylpyrimidine-5-carboxylic acid?
The InChIKey is DHKLIZDDLIVHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c27-23(28)20-16-24-21(19-9-5-2-6-10-19)25-22(20)26-13-11-18(12-14-26)15-17-7-3-1-4-8-17/h1-10,16,18H,11-15H2,(H,27,28).
What are the key properties of 4-(4-benzylpiperidin-1-yl)-2-phenylpyrimidine-5-carboxylic acid?
4-(4-benzylpiperidin-1-yl)-2-phenylpyrimidine-5-carboxylic acid has a molecular weight of 373.46 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperidin-1-yl)-2-phenylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 42670559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).