methyl (3S)-1-(4-chloro-6-methylpyridine-3-carbonyl)piperidine-3-carboxylate

C14H17ClN2O3 — CID 103893902

IUPACmethyl (3S)-1-(4-chloro-6-methylpyridine-3-carbonyl)piperidine-3-carboxylate
SMILESCOC(=O)[C@H]1CCCN(C(=O)c2cnc(C)cc2Cl)C1
InChIInChI=1S/C14H17ClN2O3/c1-9-6-12(15)11(7-16-9)13(18)17-5-3-4-10(8-17)14(19)20-2/h6-7,10H,3-5,8H2,1-2H3/t10-/m0/s1
InChIKeyNGIBDMZUFOHJCY-JTQLQIEISA-N
MW296.75 g/mol
LogP2.07
Rot. Bonds2

About methyl (3S)-1-(4-chloro-6-methylpyridine-3-carbonyl)piperidine-3-carboxylate

methyl (3S)-1-(4-chloro-6-methylpyridine-3-carbonyl)piperidine-3-carboxylate (PubChem CID 103893902) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is methyl (3S)-1-(4-chloro-6-methylpyridine-3-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3S)-1-(4-chloro-6-methylpyridine-3-carbonyl)piperidine-3-carboxylate
PubChem CID103893902
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Namemethyl (3S)-1-(4-chloro-6-methylpyridine-3-carbonyl)piperidine-3-carboxylate
SMILESCOC(=O)[C@H]1CCCN(C(=O)c2cnc(C)cc2Cl)C1
InChIInChI=1S/C14H17ClN2O3/c1-9-6-12(15)11(7-16-9)13(18)17-5-3-4-10(8-17)14(19)20-2/h6-7,10H,3-5,8H2,1-2H3/t10-/m0/s1
InChIKeyNGIBDMZUFOHJCY-JTQLQIEISA-N
XLogP2.07
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl (3S)-1-(4-chloro-6-methylpyridine-3-carbonyl)piperidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-chloro-6-methyl-3-pyridinyl)-(3-methoxypiperidin-1-yl)methanone
CID 103878889
methyl (3S)-1-(2,4-dichlorobenzoyl)piperidine-3-carboxylate
CID 78919345
methyl (3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylate
CID 78919443
N-[1-(4-chloro-6-methylpyridine-3-carbonyl)piperidin-3-yl]methanesulfonamide
CID 81231053
methyl (3S)-1-(3,5-dichloro-2-iodobenzoyl)piperidine-3-carboxylate
CID 78919362
(4-chloro-6-methyl-3-pyridinyl)-(2-ethyl-1,4-oxazepan-4-yl)methanone
CID 114217672
methyl (3S)-1-(5-chloropyridine-2-carbonyl)piperidine-3-carboxylate
CID 78994553
methyl (3S)-1-(4-chloro-3-methylbenzoyl)piperidine-3-carboxylate
CID 103760234
(4-chloro-6-methyl-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 81225286
(4-chloro-6-methyl-3-pyridinyl)-(3-hydroxyazetidin-1-yl)methanone
CID 103863071
methyl 1-(4-hydroxy-2-methylbenzoyl)piperidine-3-carboxylate
CID 103865413
(4-chloro-6-methyl-3-pyridinyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112624918

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-1-(4-chloro-6-methylpyridine-3-carbonyl)piperidine-3-carboxylate?
The IUPAC name of methyl (3S)-1-(4-chloro-6-methylpyridine-3-carbonyl)piperidine-3-carboxylate (CID 103893902) is methyl (3S)-1-(4-chloro-6-methylpyridine-3-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for methyl (3S)-1-(4-chloro-6-methylpyridine-3-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for methyl (3S)-1-(4-chloro-6-methylpyridine-3-carbonyl)piperidine-3-carboxylate is COC(=O)[C@H]1CCCN(C(=O)c2cnc(C)cc2Cl)C1.
What is the InChIKey of methyl (3S)-1-(4-chloro-6-methylpyridine-3-carbonyl)piperidine-3-carboxylate?
The InChIKey is NGIBDMZUFOHJCY-JTQLQIEISA-N. The full InChI is InChI=1S/C14H17ClN2O3/c1-9-6-12(15)11(7-16-9)13(18)17-5-3-4-10(8-17)14(19)20-2/h6-7,10H,3-5,8H2,1-2H3/t10-/m0/s1.
What are the key properties of methyl (3S)-1-(4-chloro-6-methylpyridine-3-carbonyl)piperidine-3-carboxylate?
methyl (3S)-1-(4-chloro-6-methylpyridine-3-carbonyl)piperidine-3-carboxylate has a molecular weight of 296.75 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-1-(4-chloro-6-methylpyridine-3-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 103893902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).