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

C12H16N2O2 — CID 118282107

IUPAC(3R,4S)-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carbaldehyde
SMILESCn1ccc([C@H]2CCNC[C@@H]2C=O)cc1=O
InChIInChI=1S/C12H16N2O2/c1-14-5-3-9(6-12(14)16)11-2-4-13-7-10(11)8-15/h3,5-6,8,10-11,13H,2,4,7H2,1H3/t10-,11-/m1/s1
InChIKeyLHIMIVJPEVHLHH-GHMZBOCLSA-N
MW220.27 g/mol
LogP0.28
Rot. Bonds2

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

(3R,4S)-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carbaldehyde (PubChem CID 118282107) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is (3R,4S)-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carbaldehyde.

Molecular Properties

Compound Name(3R,4S)-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carbaldehyde
PubChem CID118282107
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name(3R,4S)-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carbaldehyde
SMILESCn1ccc([C@H]2CCNC[C@@H]2C=O)cc1=O
InChIInChI=1S/C12H16N2O2/c1-14-5-3-9(6-12(14)16)11-2-4-13-7-10(11)8-15/h3,5-6,8,10-11,13H,2,4,7H2,1H3/t10-,11-/m1/s1
InChIKeyLHIMIVJPEVHLHH-GHMZBOCLSA-N
XLogP0.28
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-(2-oxopiperidin-4-yl)-1H-pyridin-2-one
CID 54259257
3-(4-aminobut-2-enyl)-4-[(4-methylpiperidin-1-yl)methyl]-1H-pyridin-2-one
CID 57218424
3-(4-aminobut-2-enyl)-4-[(3-methylpiperidin-1-yl)methyl]-1H-pyridin-2-one
CID 57247906
3-Piperidin-4-ylpyridin-2(1H)-one
CID 59722661
1-Cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
CID 66895776
N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
CID 66895777
N-cyclopropyl-4-(3-methyl-2-oxo-1H-pyridin-4-yl)piperidine-3-carboxamide
CID 66896760
3-[3-(2,3,5a,9a-tetrahydro-1H-3-benzazepin-7-yl)-1-propanoylpiperidin-4-yl]propanal;hydrochloride
CID 88254837
3-[3-(2,3,5a,9a-tetrahydro-1H-3-benzazepin-7-yl)-1-acetylpiperidin-4-yl]propanal
CID 88255504
3-[3-(2,3,5a,9a-tetrahydro-1H-3-benzazepin-7-yl)-1-acetylpiperidin-4-yl]propanal;hydrochloride
CID 88255676
(3R,4S)-4-[(1Z,3Z)-1-(methylamino)-5-oxopenta-1,3-dien-3-yl]piperidine-3-carbaldehyde
CID 118282110
1-methyl-4-[(3R,4S)-3-methylpiperidin-4-yl]pyridin-2-one
CID 118282112

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carbaldehyde?
The IUPAC name of (3R,4S)-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carbaldehyde (CID 118282107) is (3R,4S)-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carbaldehyde.
What is the SMILES notation for (3R,4S)-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carbaldehyde?
The canonical SMILES for (3R,4S)-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carbaldehyde is Cn1ccc([C@H]2CCNC[C@@H]2C=O)cc1=O.
What is the InChIKey of (3R,4S)-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carbaldehyde?
The InChIKey is LHIMIVJPEVHLHH-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-14-5-3-9(6-12(14)16)11-2-4-13-7-10(11)8-15/h3,5-6,8,10-11,13H,2,4,7H2,1H3/t10-,11-/m1/s1.
What are the key properties of (3R,4S)-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carbaldehyde?
(3R,4S)-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carbaldehyde has a molecular weight of 220.27 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 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-carbaldehyde is sourced from PubChem (CID 118282107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).