1-(2-carbamoyl-4-pyridinyl)-2-methylpiperidine-2-carboxylic acid

C13H17N3O3 — CID 104595845

IUPAC1-(2-carbamoyl-4-pyridinyl)-2-methylpiperidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCCN1c1ccnc(C(N)=O)c1
InChIInChI=1S/C13H17N3O3/c1-13(12(18)19)5-2-3-7-16(13)9-4-6-15-10(8-9)11(14)17/h4,6,8H,2-3,5,7H2,1H3,(H2,14,17)(H,18,19)
InChIKeyYAVVDFIWJDYZGY-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.01
Rot. Bonds3

About 1-(2-carbamoyl-4-pyridinyl)-2-methylpiperidine-2-carboxylic acid

1-(2-carbamoyl-4-pyridinyl)-2-methylpiperidine-2-carboxylic acid (PubChem CID 104595845) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-(2-carbamoyl-4-pyridinyl)-2-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-carbamoyl-4-pyridinyl)-2-methylpiperidine-2-carboxylic acid
PubChem CID104595845
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name1-(2-carbamoyl-4-pyridinyl)-2-methylpiperidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCCN1c1ccnc(C(N)=O)c1
InChIInChI=1S/C13H17N3O3/c1-13(12(18)19)5-2-3-7-16(13)9-4-6-15-10(8-9)11(14)17/h4,6,8H,2-3,5,7H2,1H3,(H2,14,17)(H,18,19)
InChIKeyYAVVDFIWJDYZGY-UHFFFAOYSA-N
XLogP1.01
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 ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-carbamoyl-4-pyridinyl)-2-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(2-carbamoyl-4-pyridinyl)-2-methylpiperidine-2-carboxylic acid (CID 104595845) is 1-(2-carbamoyl-4-pyridinyl)-2-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-carbamoyl-4-pyridinyl)-2-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(2-carbamoyl-4-pyridinyl)-2-methylpiperidine-2-carboxylic acid is CC1(C(=O)O)CCCCN1c1ccnc(C(N)=O)c1.
What is the InChIKey of 1-(2-carbamoyl-4-pyridinyl)-2-methylpiperidine-2-carboxylic acid?
The InChIKey is YAVVDFIWJDYZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-13(12(18)19)5-2-3-7-16(13)9-4-6-15-10(8-9)11(14)17/h4,6,8H,2-3,5,7H2,1H3,(H2,14,17)(H,18,19).
What are the key properties of 1-(2-carbamoyl-4-pyridinyl)-2-methylpiperidine-2-carboxylic acid?
1-(2-carbamoyl-4-pyridinyl)-2-methylpiperidine-2-carboxylic acid has a molecular weight of 263.30 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-carbamoyl-4-pyridinyl)-2-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 104595845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).