4-(4-carbamoylpiperidin-1-yl)-6-methylpyridine-3-carboxylic acid

C13H17N3O3 — CID 81233126

IUPAC4-(4-carbamoylpiperidin-1-yl)-6-methylpyridine-3-carboxylic acid
SMILESCc1cc(N2CCC(C(N)=O)CC2)c(C(=O)O)cn1
InChIInChI=1S/C13H17N3O3/c1-8-6-11(10(7-15-8)13(18)19)16-4-2-9(3-5-16)12(14)17/h6-7,9H,2-5H2,1H3,(H2,14,17)(H,18,19)
InChIKeyGCPCOBFGDQSSMH-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.79
Rot. Bonds3

About 4-(4-carbamoylpiperidin-1-yl)-6-methylpyridine-3-carboxylic acid

4-(4-carbamoylpiperidin-1-yl)-6-methylpyridine-3-carboxylic acid (PubChem CID 81233126) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-(4-carbamoylpiperidin-1-yl)-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(4-carbamoylpiperidin-1-yl)-6-methylpyridine-3-carboxylic acid
PubChem CID81233126
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name4-(4-carbamoylpiperidin-1-yl)-6-methylpyridine-3-carboxylic acid
SMILESCc1cc(N2CCC(C(N)=O)CC2)c(C(=O)O)cn1
InChIInChI=1S/C13H17N3O3/c1-8-6-11(10(7-15-8)13(18)19)16-4-2-9(3-5-16)12(14)17/h6-7,9H,2-5H2,1H3,(H2,14,17)(H,18,19)
InChIKeyGCPCOBFGDQSSMH-UHFFFAOYSA-N
XLogP0.79
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-carbamoylpiperidin-1-yl)-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 4-(4-carbamoylpiperidin-1-yl)-6-methylpyridine-3-carboxylic acid (CID 81233126) is 4-(4-carbamoylpiperidin-1-yl)-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-(4-carbamoylpiperidin-1-yl)-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 4-(4-carbamoylpiperidin-1-yl)-6-methylpyridine-3-carboxylic acid is Cc1cc(N2CCC(C(N)=O)CC2)c(C(=O)O)cn1.
What is the InChIKey of 4-(4-carbamoylpiperidin-1-yl)-6-methylpyridine-3-carboxylic acid?
The InChIKey is GCPCOBFGDQSSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-8-6-11(10(7-15-8)13(18)19)16-4-2-9(3-5-16)12(14)17/h6-7,9H,2-5H2,1H3,(H2,14,17)(H,18,19).
What are the key properties of 4-(4-carbamoylpiperidin-1-yl)-6-methylpyridine-3-carboxylic acid?
4-(4-carbamoylpiperidin-1-yl)-6-methylpyridine-3-carboxylic acid has a molecular weight of 263.30 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-carbamoylpiperidin-1-yl)-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 81233126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).