(3R,4S)-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxylic acid

C12H16N2O3 — CID 118282129

IUPAC(3R,4S)-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxylic acid
SMILESCn1ccc([C@H]2CCNC[C@@H]2C(=O)O)cc1=O
InChIInChI=1S/C12H16N2O3/c1-14-5-3-8(6-11(14)15)9-2-4-13-7-10(9)12(16)17/h3,5-6,9-10,13H,2,4,7H2,1H3,(H,16,17)/t9-,10+/m1/s1
InChIKeyBVNJLMQBLCCQTG-ZJUUUORDSA-N
MW236.27 g/mol
LogP0.16
Rot. Bonds2

About (3R,4S)-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxylic acid

(3R,4S)-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxylic acid (PubChem CID 118282129) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is (3R,4S)-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4S)-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxylic acid
PubChem CID118282129
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name(3R,4S)-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxylic acid
SMILESCn1ccc([C@H]2CCNC[C@@H]2C(=O)O)cc1=O
InChIInChI=1S/C12H16N2O3/c1-14-5-3-8(6-11(14)15)9-2-4-13-7-10(9)12(16)17/h3,5-6,9-10,13H,2,4,7H2,1H3,(H,16,17)/t9-,10+/m1/s1
InChIKeyBVNJLMQBLCCQTG-ZJUUUORDSA-N
XLogP0.16
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxylic acid?
The IUPAC name of (3R,4S)-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxylic acid (CID 118282129) is (3R,4S)-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R,4S)-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R,4S)-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxylic acid is Cn1ccc([C@H]2CCNC[C@@H]2C(=O)O)cc1=O.
What is the InChIKey of (3R,4S)-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxylic acid?
The InChIKey is BVNJLMQBLCCQTG-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-14-5-3-8(6-11(14)15)9-2-4-13-7-10(9)12(16)17/h3,5-6,9-10,13H,2,4,7H2,1H3,(H,16,17)/t9-,10+/m1/s1.
What are the key properties of (3R,4S)-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxylic acid?
(3R,4S)-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 118282129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).