(4-chloro-6-methyl-3-pyridinyl)-(3-methoxypiperidin-1-yl)methanone

C13H17ClN2O2 — CID 103878889

IUPAC(4-chloro-6-methyl-3-pyridinyl)-(3-methoxypiperidin-1-yl)methanone
SMILESCOC1CCCN(C(=O)c2cnc(C)cc2Cl)C1
InChIInChI=1S/C13H17ClN2O2/c1-9-6-12(14)11(7-15-9)13(17)16-5-3-4-10(8-16)18-2/h6-7,10H,3-5,8H2,1-2H3
InChIKeyFLSNFYJSACACPV-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.29
Rot. Bonds2

About (4-chloro-6-methyl-3-pyridinyl)-(3-methoxypiperidin-1-yl)methanone

(4-chloro-6-methyl-3-pyridinyl)-(3-methoxypiperidin-1-yl)methanone (PubChem CID 103878889) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is (4-chloro-6-methyl-3-pyridinyl)-(3-methoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-chloro-6-methyl-3-pyridinyl)-(3-methoxypiperidin-1-yl)methanone
PubChem CID103878889
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name(4-chloro-6-methyl-3-pyridinyl)-(3-methoxypiperidin-1-yl)methanone
SMILESCOC1CCCN(C(=O)c2cnc(C)cc2Cl)C1
InChIInChI=1S/C13H17ClN2O2/c1-9-6-12(14)11(7-15-9)13(17)16-5-3-4-10(8-16)18-2/h6-7,10H,3-5,8H2,1-2H3
InChIKeyFLSNFYJSACACPV-UHFFFAOYSA-N
XLogP2.29
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (3S)-1-(4-chloro-6-methylpyridine-3-carbonyl)piperidine-3-carboxylate
CID 103893902
N-[1-(4-chloro-6-methylpyridine-3-carbonyl)piperidin-3-yl]methanesulfonamide
CID 81231053
(2-chloro-4,5-difluorophenyl)-(3-methoxypiperidin-1-yl)methanone
CID 91830057
(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
(4-chloro-6-methyl-3-pyridinyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112624918
(4-chloro-6-methyl-3-pyridinyl)-(2-ethyl-1,4-oxazepan-4-yl)methanone
CID 114217672
(2-chlorofuran-3-yl)-(3-methoxypiperidin-1-yl)methanone
CID 106687373
[4-(ethylamino)-6-methyl-3-pyridinyl]-(3-methoxypyrrolidin-1-yl)methanone
CID 103538368
(4-hydroxy-2-methylphenyl)-(3-methoxypiperidin-1-yl)methanone
CID 103865425
(4-chloro-6-methyl-3-pyridinyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 106835755
[6-methyl-4-(methylamino)-3-pyridinyl]-(3-propoxypiperidin-1-yl)methanone
CID 81238498

Frequently Asked Questions

What is the IUPAC name of (4-chloro-6-methyl-3-pyridinyl)-(3-methoxypiperidin-1-yl)methanone?
The IUPAC name of (4-chloro-6-methyl-3-pyridinyl)-(3-methoxypiperidin-1-yl)methanone (CID 103878889) is (4-chloro-6-methyl-3-pyridinyl)-(3-methoxypiperidin-1-yl)methanone.
What is the SMILES notation for (4-chloro-6-methyl-3-pyridinyl)-(3-methoxypiperidin-1-yl)methanone?
The canonical SMILES for (4-chloro-6-methyl-3-pyridinyl)-(3-methoxypiperidin-1-yl)methanone is COC1CCCN(C(=O)c2cnc(C)cc2Cl)C1.
What is the InChIKey of (4-chloro-6-methyl-3-pyridinyl)-(3-methoxypiperidin-1-yl)methanone?
The InChIKey is FLSNFYJSACACPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-9-6-12(14)11(7-15-9)13(17)16-5-3-4-10(8-16)18-2/h6-7,10H,3-5,8H2,1-2H3.
What are the key properties of (4-chloro-6-methyl-3-pyridinyl)-(3-methoxypiperidin-1-yl)methanone?
(4-chloro-6-methyl-3-pyridinyl)-(3-methoxypiperidin-1-yl)methanone has a molecular weight of 268.74 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-6-methyl-3-pyridinyl)-(3-methoxypiperidin-1-yl)methanone is sourced from PubChem (CID 103878889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).