1-(4-methoxypyrimidin-2-yl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid

C15H19N5O3 — CID 56882560

IUPAC1-(4-methoxypyrimidin-2-yl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid
SMILESCOc1ccnc(N2CCC(C(=O)O)(n3cc(C)cn3)CC2)n1
InChIInChI=1S/C15H19N5O3/c1-11-9-17-20(10-11)15(13(21)22)4-7-19(8-5-15)14-16-6-3-12(18-14)23-2/h3,6,9-10H,4-5,7-8H2,1-2H3,(H,21,22)
InChIKeyXSQBXSIPZMPFAP-UHFFFAOYSA-N
MW317.35 g/mol
LogP1.07
Rot. Bonds4

About 1-(4-methoxypyrimidin-2-yl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid

1-(4-methoxypyrimidin-2-yl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid (PubChem CID 56882560) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is 1-(4-methoxypyrimidin-2-yl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-methoxypyrimidin-2-yl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid
PubChem CID56882560
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC Name1-(4-methoxypyrimidin-2-yl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid
SMILESCOc1ccnc(N2CCC(C(=O)O)(n3cc(C)cn3)CC2)n1
InChIInChI=1S/C15H19N5O3/c1-11-9-17-20(10-11)15(13(21)22)4-7-19(8-5-15)14-16-6-3-12(18-14)23-2/h3,6,9-10H,4-5,7-8H2,1-2H3,(H,21,22)
InChIKeyXSQBXSIPZMPFAP-UHFFFAOYSA-N
XLogP1.07
TPSA93.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxypyrimidin-2-yl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(4-methoxypyrimidin-2-yl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid (CID 56882560) is 1-(4-methoxypyrimidin-2-yl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(4-methoxypyrimidin-2-yl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(4-methoxypyrimidin-2-yl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid is COc1ccnc(N2CCC(C(=O)O)(n3cc(C)cn3)CC2)n1.
What is the InChIKey of 1-(4-methoxypyrimidin-2-yl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid?
The InChIKey is XSQBXSIPZMPFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-11-9-17-20(10-11)15(13(21)22)4-7-19(8-5-15)14-16-6-3-12(18-14)23-2/h3,6,9-10H,4-5,7-8H2,1-2H3,(H,21,22).
What are the key properties of 1-(4-methoxypyrimidin-2-yl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid?
1-(4-methoxypyrimidin-2-yl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid has a molecular weight of 317.35 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxypyrimidin-2-yl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 56882560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).