N-[[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]methanesulfonamide

C16H27N3O3S — CID 56804774

IUPACN-[[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]methanesulfonamide
SMILESCOc1c(C)cnc(CN2CCCC(CNS(C)(=O)=O)C2)c1C
InChIInChI=1S/C16H27N3O3S/c1-12-8-17-15(13(2)16(12)22-3)11-19-7-5-6-14(10-19)9-18-23(4,20)21/h8,14,18H,5-7,9-11H2,1-4H3
InChIKeySIZQNAUMWRPQEV-UHFFFAOYSA-N
MW341.48 g/mol
LogP1.47
Rot. Bonds6

About N-[[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]methanesulfonamide

N-[[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]methanesulfonamide (PubChem CID 56804774) has the molecular formula C16H27N3O3S and a molecular weight of 341.48 g/mol. Its IUPAC name is N-[[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]methanesulfonamide
PubChem CID56804774
Molecular FormulaC16H27N3O3S
Molecular Weight341.48 g/mol
Exact Mass341.18
IUPAC NameN-[[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]methanesulfonamide
SMILESCOc1c(C)cnc(CN2CCCC(CNS(C)(=O)=O)C2)c1C
InChIInChI=1S/C16H27N3O3S/c1-12-8-17-15(13(2)16(12)22-3)11-19-7-5-6-14(10-19)9-18-23(4,20)21/h8,14,18H,5-7,9-11H2,1-4H3
InChIKeySIZQNAUMWRPQEV-UHFFFAOYSA-N
XLogP1.47
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]methanesulfonamide with MolForge

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Related Compounds

N-[[(3S)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]-2-methylpropanamide
CID 95182196
2-[[3-(bromomethyl)pyrrolidin-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine
CID 80691461
N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]propanamide
CID 56824166
N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]cyclobutanecarboxamide
CID 171690391
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 119917723
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-methylpiperidin-4-ol
CID 114502552
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidine-3-carboxylic acid
CID 63032394
N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]-N,5-dimethylpyrimidin-2-amine
CID 155980410
methyl 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidine-4-carboxylate
CID 62025945
N-[[(3R)-1-[(8-methylquinolin-5-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide
CID 95218558
(4,4-difluoropiperidin-1-yl)-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]methanone
CID 163356436
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-ol
CID 62021333

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]methanesulfonamide (CID 56804774) is N-[[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]methanesulfonamide is COc1c(C)cnc(CN2CCCC(CNS(C)(=O)=O)C2)c1C.
What is the InChIKey of N-[[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]methanesulfonamide?
The InChIKey is SIZQNAUMWRPQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3S/c1-12-8-17-15(13(2)16(12)22-3)11-19-7-5-6-14(10-19)9-18-23(4,20)21/h8,14,18H,5-7,9-11H2,1-4H3.
What are the key properties of N-[[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]methanesulfonamide?
N-[[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]methanesulfonamide has a molecular weight of 341.48 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 56804774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).