2-phenyl-4-piperidin-1-ylpyrimidine-5-carboxylic acid

C16H17N3O2 — CID 42669942

IUPAC2-phenyl-4-piperidin-1-ylpyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccccc2)nc1N1CCCCC1
InChIInChI=1S/C16H17N3O2/c20-16(21)13-11-17-14(12-7-3-1-4-8-12)18-15(13)19-9-5-2-6-10-19/h1,3-4,7-8,11H,2,5-6,9-10H2,(H,20,21)
InChIKeyNAYAWECQKYZEBD-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.83
Rot. Bonds3

About 2-phenyl-4-piperidin-1-ylpyrimidine-5-carboxylic acid

2-phenyl-4-piperidin-1-ylpyrimidine-5-carboxylic acid (PubChem CID 42669942) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-phenyl-4-piperidin-1-ylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-phenyl-4-piperidin-1-ylpyrimidine-5-carboxylic acid
PubChem CID42669942
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-phenyl-4-piperidin-1-ylpyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccccc2)nc1N1CCCCC1
InChIInChI=1S/C16H17N3O2/c20-16(21)13-11-17-14(12-7-3-1-4-8-12)18-15(13)19-9-5-2-6-10-19/h1,3-4,7-8,11H,2,5-6,9-10H2,(H,20,21)
InChIKeyNAYAWECQKYZEBD-UHFFFAOYSA-N
XLogP2.83
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-piperidin-1-ylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-phenyl-4-piperidin-1-ylpyrimidine-5-carboxylic acid (CID 42669942) is 2-phenyl-4-piperidin-1-ylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-phenyl-4-piperidin-1-ylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-phenyl-4-piperidin-1-ylpyrimidine-5-carboxylic acid is O=C(O)c1cnc(-c2ccccc2)nc1N1CCCCC1.
What is the InChIKey of 2-phenyl-4-piperidin-1-ylpyrimidine-5-carboxylic acid?
The InChIKey is NAYAWECQKYZEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c20-16(21)13-11-17-14(12-7-3-1-4-8-12)18-15(13)19-9-5-2-6-10-19/h1,3-4,7-8,11H,2,5-6,9-10H2,(H,20,21).
What are the key properties of 2-phenyl-4-piperidin-1-ylpyrimidine-5-carboxylic acid?
2-phenyl-4-piperidin-1-ylpyrimidine-5-carboxylic acid has a molecular weight of 283.33 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-piperidin-1-ylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 42669942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).