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

C13H17ClN2O — CID 81225286

IUPAC(4-chloro-6-methyl-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone
SMILESCc1cc(Cl)c(C(=O)N2CCC(C)CC2)cn1
InChIInChI=1S/C13H17ClN2O/c1-9-3-5-16(6-4-9)13(17)11-8-15-10(2)7-12(11)14/h7-9H,3-6H2,1-2H3
InChIKeySRIFGSUUZXKOFI-UHFFFAOYSA-N
MW252.74 g/mol
LogP2.92
Rot. Bonds1

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

(4-chloro-6-methyl-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone (PubChem CID 81225286) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is (4-chloro-6-methyl-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-chloro-6-methyl-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone
PubChem CID81225286
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name(4-chloro-6-methyl-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone
SMILESCc1cc(Cl)c(C(=O)N2CCC(C)CC2)cn1
InChIInChI=1S/C13H17ClN2O/c1-9-3-5-16(6-4-9)13(17)11-8-15-10(2)7-12(11)14/h7-9H,3-6H2,1-2H3
InChIKeySRIFGSUUZXKOFI-UHFFFAOYSA-N
XLogP2.92
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chloro-6-methyl-3-pyridinyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 106835755
(4-chloro-6-methyl-3-pyridinyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 81226375
(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)-(4,4-diethylpiperidin-1-yl)methanone
CID 81227303
(2-chloro-4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 885823
(4-chloro-6-methyl-3-pyridinyl)-(3-methoxypiperidin-1-yl)methanone
CID 103878889
(4-amino-6-methyl-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone
CID 81242747
methyl (3S)-1-(4-chloro-6-methylpyridine-3-carbonyl)piperidine-3-carboxylate
CID 103893902
4-chloro-6-methyl-N-(4-methylcyclohexyl)pyridine-3-carboxamide
CID 81225864
N-[1-(4-chloro-6-methylpyridine-3-carbonyl)piperidin-3-yl]methanesulfonamide
CID 81231053
(4-chloro-6-methyl-3-pyridinyl)-(2-ethyl-1,4-oxazepan-4-yl)methanone
CID 114217672

Frequently Asked Questions

What is the IUPAC name of (4-chloro-6-methyl-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of (4-chloro-6-methyl-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone (CID 81225286) is (4-chloro-6-methyl-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-chloro-6-methyl-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (4-chloro-6-methyl-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone is Cc1cc(Cl)c(C(=O)N2CCC(C)CC2)cn1.
What is the InChIKey of (4-chloro-6-methyl-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone?
The InChIKey is SRIFGSUUZXKOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-9-3-5-16(6-4-9)13(17)11-8-15-10(2)7-12(11)14/h7-9H,3-6H2,1-2H3.
What are the key properties of (4-chloro-6-methyl-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone?
(4-chloro-6-methyl-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone has a molecular weight of 252.74 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-6-methyl-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 81225286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).