N-methyl-2-[1-(pyridine-3-carbonyl)piperidin-4-yl]sulfonylacetamide

C14H19N3O4S — CID 90592506

IUPACN-methyl-2-[1-(pyridine-3-carbonyl)piperidin-4-yl]sulfonylacetamide
SMILESCNC(=O)CS(=O)(=O)C1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C14H19N3O4S/c1-15-13(18)10-22(20,21)12-4-7-17(8-5-12)14(19)11-3-2-6-16-9-11/h2-3,6,9,12H,4-5,7-8,10H2,1H3,(H,15,18)
InChIKeyWPHZWUQLTACGQV-UHFFFAOYSA-N
MW325.39 g/mol
LogP-0.15
Rot. Bonds4

About N-methyl-2-[1-(pyridine-3-carbonyl)piperidin-4-yl]sulfonylacetamide

N-methyl-2-[1-(pyridine-3-carbonyl)piperidin-4-yl]sulfonylacetamide (PubChem CID 90592506) has the molecular formula C14H19N3O4S and a molecular weight of 325.39 g/mol. Its IUPAC name is N-methyl-2-[1-(pyridine-3-carbonyl)piperidin-4-yl]sulfonylacetamide.

Molecular Properties

Compound NameN-methyl-2-[1-(pyridine-3-carbonyl)piperidin-4-yl]sulfonylacetamide
PubChem CID90592506
Molecular FormulaC14H19N3O4S
Molecular Weight325.39 g/mol
Exact Mass325.11
IUPAC NameN-methyl-2-[1-(pyridine-3-carbonyl)piperidin-4-yl]sulfonylacetamide
SMILESCNC(=O)CS(=O)(=O)C1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C14H19N3O4S/c1-15-13(18)10-22(20,21)12-4-7-17(8-5-12)14(19)11-3-2-6-16-9-11/h2-3,6,9,12H,4-5,7-8,10H2,1H3,(H,15,18)
InChIKeyWPHZWUQLTACGQV-UHFFFAOYSA-N
XLogP-0.15
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-[1-(3-methylbenzoyl)piperidin-4-yl]sulfonylacetamide
CID 90592749
2-[1-(3-iodobenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592768
2-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592529
2-[1-(4-butoxybenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592559
(4-fluoropiperidin-1-yl)-pyridin-3-ylmethanone
CID 150696190
[4-(1-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 112537616
N-methyl-2-[1-(4-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]sulfonylacetamide
CID 90592568
2-chloro-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide
CID 108563315
4-ethyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 90521148
3-methyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]butanamide
CID 90521307
N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide
CID 90521136
1-(pyridine-3-carbonyl)piperidine-4-carbohydrazide
CID 54794112

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-(pyridine-3-carbonyl)piperidin-4-yl]sulfonylacetamide?
The IUPAC name of N-methyl-2-[1-(pyridine-3-carbonyl)piperidin-4-yl]sulfonylacetamide (CID 90592506) is N-methyl-2-[1-(pyridine-3-carbonyl)piperidin-4-yl]sulfonylacetamide.
What is the SMILES notation for N-methyl-2-[1-(pyridine-3-carbonyl)piperidin-4-yl]sulfonylacetamide?
The canonical SMILES for N-methyl-2-[1-(pyridine-3-carbonyl)piperidin-4-yl]sulfonylacetamide is CNC(=O)CS(=O)(=O)C1CCN(C(=O)c2cccnc2)CC1.
What is the InChIKey of N-methyl-2-[1-(pyridine-3-carbonyl)piperidin-4-yl]sulfonylacetamide?
The InChIKey is WPHZWUQLTACGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4S/c1-15-13(18)10-22(20,21)12-4-7-17(8-5-12)14(19)11-3-2-6-16-9-11/h2-3,6,9,12H,4-5,7-8,10H2,1H3,(H,15,18).
What are the key properties of N-methyl-2-[1-(pyridine-3-carbonyl)piperidin-4-yl]sulfonylacetamide?
N-methyl-2-[1-(pyridine-3-carbonyl)piperidin-4-yl]sulfonylacetamide has a molecular weight of 325.39 g/mol, XLogP of -0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-(pyridine-3-carbonyl)piperidin-4-yl]sulfonylacetamide is sourced from PubChem (CID 90592506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).