1-(9-cyclopropylpurin-6-yl)-5-methylpiperidine-3-carboxylic acid

C15H19N5O2 — CID 122106461

IUPAC1-(9-cyclopropylpurin-6-yl)-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(c2ncnc3c2ncn3C2CC2)C1
InChIInChI=1S/C15H19N5O2/c1-9-4-10(15(21)22)6-19(5-9)13-12-14(17-7-16-13)20(8-18-12)11-2-3-11/h7-11H,2-6H2,1H3,(H,21,22)
InChIKeyQFYWNTSEBHVVGL-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.71
Rot. Bonds3

About 1-(9-cyclopropylpurin-6-yl)-5-methylpiperidine-3-carboxylic acid

1-(9-cyclopropylpurin-6-yl)-5-methylpiperidine-3-carboxylic acid (PubChem CID 122106461) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-(9-cyclopropylpurin-6-yl)-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(9-cyclopropylpurin-6-yl)-5-methylpiperidine-3-carboxylic acid
PubChem CID122106461
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name1-(9-cyclopropylpurin-6-yl)-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(c2ncnc3c2ncn3C2CC2)C1
InChIInChI=1S/C15H19N5O2/c1-9-4-10(15(21)22)6-19(5-9)13-12-14(17-7-16-13)20(8-18-12)11-2-3-11/h7-11H,2-6H2,1H3,(H,21,22)
InChIKeyQFYWNTSEBHVVGL-UHFFFAOYSA-N
XLogP1.71
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(9-cyclopropylpurin-6-yl)-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(9-cyclopropylpurin-6-yl)-5-methylpiperidine-3-carboxylic acid (CID 122106461) is 1-(9-cyclopropylpurin-6-yl)-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(9-cyclopropylpurin-6-yl)-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(9-cyclopropylpurin-6-yl)-5-methylpiperidine-3-carboxylic acid is CC1CC(C(=O)O)CN(c2ncnc3c2ncn3C2CC2)C1.
What is the InChIKey of 1-(9-cyclopropylpurin-6-yl)-5-methylpiperidine-3-carboxylic acid?
The InChIKey is QFYWNTSEBHVVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-9-4-10(15(21)22)6-19(5-9)13-12-14(17-7-16-13)20(8-18-12)11-2-3-11/h7-11H,2-6H2,1H3,(H,21,22).
What are the key properties of 1-(9-cyclopropylpurin-6-yl)-5-methylpiperidine-3-carboxylic acid?
1-(9-cyclopropylpurin-6-yl)-5-methylpiperidine-3-carboxylic acid has a molecular weight of 301.35 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-cyclopropylpurin-6-yl)-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122106461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).