2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine-4-carboxylic acid

C15H22N4O2 — CID 107553688

IUPAC2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1ccnc(N2CCC(N3CCCCC3)CC2)n1
InChIInChI=1S/C15H22N4O2/c20-14(21)13-4-7-16-15(17-13)19-10-5-12(6-11-19)18-8-2-1-3-9-18/h4,7,12H,1-3,5-6,8-11H2,(H,20,21)
InChIKeyMGWAXKBJCTXRLT-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.63
Rot. Bonds3

About 2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine-4-carboxylic acid

2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine-4-carboxylic acid (PubChem CID 107553688) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine-4-carboxylic acid
PubChem CID107553688
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1ccnc(N2CCC(N3CCCCC3)CC2)n1
InChIInChI=1S/C15H22N4O2/c20-14(21)13-4-7-16-15(17-13)19-10-5-12(6-11-19)18-8-2-1-3-9-18/h4,7,12H,1-3,5-6,8-11H2,(H,20,21)
InChIKeyMGWAXKBJCTXRLT-UHFFFAOYSA-N
XLogP1.63
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine-4-carboxylic acid?
The IUPAC name of 2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine-4-carboxylic acid (CID 107553688) is 2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine-4-carboxylic acid is O=C(O)c1ccnc(N2CCC(N3CCCCC3)CC2)n1.
What is the InChIKey of 2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine-4-carboxylic acid?
The InChIKey is MGWAXKBJCTXRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c20-14(21)13-4-7-16-15(17-13)19-10-5-12(6-11-19)18-8-2-1-3-9-18/h4,7,12H,1-3,5-6,8-11H2,(H,20,21).
What are the key properties of 2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine-4-carboxylic acid?
2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine-4-carboxylic acid has a molecular weight of 290.37 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 107553688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).