N-methyl-N-[[1-[2-(2-methylpropoxy)pyridine-3-carbonyl]piperidin-3-yl]methyl]methanesulfonamide

C18H29N3O4S — CID 126798032

IUPACN-methyl-N-[[1-[2-(2-methylpropoxy)pyridine-3-carbonyl]piperidin-3-yl]methyl]methanesulfonamide
SMILESCC(C)COc1ncccc1C(=O)N1CCCC(CN(C)S(C)(=O)=O)C1
InChIInChI=1S/C18H29N3O4S/c1-14(2)13-25-17-16(8-5-9-19-17)18(22)21-10-6-7-15(12-21)11-20(3)26(4,23)24/h5,8-9,14-15H,6-7,10-13H2,1-4H3
InChIKeyMHIGTBPOITWGHS-UHFFFAOYSA-N
MW383.51 g/mol
LogP1.86
Rot. Bonds7

About N-methyl-N-[[1-[2-(2-methylpropoxy)pyridine-3-carbonyl]piperidin-3-yl]methyl]methanesulfonamide

N-methyl-N-[[1-[2-(2-methylpropoxy)pyridine-3-carbonyl]piperidin-3-yl]methyl]methanesulfonamide (PubChem CID 126798032) has the molecular formula C18H29N3O4S and a molecular weight of 383.51 g/mol. Its IUPAC name is N-methyl-N-[[1-[2-(2-methylpropoxy)pyridine-3-carbonyl]piperidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[[1-[2-(2-methylpropoxy)pyridine-3-carbonyl]piperidin-3-yl]methyl]methanesulfonamide
PubChem CID126798032
Molecular FormulaC18H29N3O4S
Molecular Weight383.51 g/mol
Exact Mass383.19
IUPAC NameN-methyl-N-[[1-[2-(2-methylpropoxy)pyridine-3-carbonyl]piperidin-3-yl]methyl]methanesulfonamide
SMILESCC(C)COc1ncccc1C(=O)N1CCCC(CN(C)S(C)(=O)=O)C1
InChIInChI=1S/C18H29N3O4S/c1-14(2)13-25-17-16(8-5-9-19-17)18(22)21-10-6-7-15(12-21)11-20(3)26(4,23)24/h5,8-9,14-15H,6-7,10-13H2,1-4H3
InChIKeyMHIGTBPOITWGHS-UHFFFAOYSA-N
XLogP1.86
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-hydroxypiperidin-1-yl)-[2-(2-methylpropoxy)-3-pyridinyl]methanone
CID 110932062
N-[[(3S)-1-(2-ethoxypyridine-3-carbonyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 94821205
[3-(bromomethyl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 80660116
(2-ethoxy-3-pyridinyl)-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 127246482
[2-(dimethylamino)-3-pyridinyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110311478
N-[[1-(2-ethoxypyridine-3-carbonyl)piperidin-3-yl]methyl]butanamide
CID 51107687
2-methyl-3-[3-[(sulfamoylamino)methyl]piperidine-1-carbonyl]pyridine
CID 78999103
[2-(2-methylpropoxy)-3-pyridinyl]-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)methanone
CID 126808666
[3-(methylamino)piperidin-1-yl]-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone;dihydrochloride
CID 119493478
(2-chloro-3-pyridinyl)-(3-ethylpiperidin-1-yl)methanone
CID 43430237
(2-methoxy-3-pyridinyl)-[(3R)-3-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
CID 124982563
(2-ethoxy-3-pyridinyl)-[(3R)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]methanone
CID 124956924

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[1-[2-(2-methylpropoxy)pyridine-3-carbonyl]piperidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[[1-[2-(2-methylpropoxy)pyridine-3-carbonyl]piperidin-3-yl]methyl]methanesulfonamide (CID 126798032) is N-methyl-N-[[1-[2-(2-methylpropoxy)pyridine-3-carbonyl]piperidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[[1-[2-(2-methylpropoxy)pyridine-3-carbonyl]piperidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[[1-[2-(2-methylpropoxy)pyridine-3-carbonyl]piperidin-3-yl]methyl]methanesulfonamide is CC(C)COc1ncccc1C(=O)N1CCCC(CN(C)S(C)(=O)=O)C1.
What is the InChIKey of N-methyl-N-[[1-[2-(2-methylpropoxy)pyridine-3-carbonyl]piperidin-3-yl]methyl]methanesulfonamide?
The InChIKey is MHIGTBPOITWGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O4S/c1-14(2)13-25-17-16(8-5-9-19-17)18(22)21-10-6-7-15(12-21)11-20(3)26(4,23)24/h5,8-9,14-15H,6-7,10-13H2,1-4H3.
What are the key properties of N-methyl-N-[[1-[2-(2-methylpropoxy)pyridine-3-carbonyl]piperidin-3-yl]methyl]methanesulfonamide?
N-methyl-N-[[1-[2-(2-methylpropoxy)pyridine-3-carbonyl]piperidin-3-yl]methyl]methanesulfonamide has a molecular weight of 383.51 g/mol, XLogP of 1.86, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[1-[2-(2-methylpropoxy)pyridine-3-carbonyl]piperidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 126798032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).