[3-methyl-4-(methylamino)piperidin-1-yl]-pyridin-4-ylmethanone

C13H19N3O — CID 114498294

IUPAC[3-methyl-4-(methylamino)piperidin-1-yl]-pyridin-4-ylmethanone
SMILESCNC1CCN(C(=O)c2ccncc2)CC1C
InChIInChI=1S/C13H19N3O/c1-10-9-16(8-5-12(10)14-2)13(17)11-3-6-15-7-4-11/h3-4,6-7,10,12,14H,5,8-9H2,1-2H3
InChIKeyOIULEJOCMBULAM-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.15
Rot. Bonds2

About [3-methyl-4-(methylamino)piperidin-1-yl]-pyridin-4-ylmethanone

[3-methyl-4-(methylamino)piperidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 114498294) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is [3-methyl-4-(methylamino)piperidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[3-methyl-4-(methylamino)piperidin-1-yl]-pyridin-4-ylmethanone
PubChem CID114498294
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name[3-methyl-4-(methylamino)piperidin-1-yl]-pyridin-4-ylmethanone
SMILESCNC1CCN(C(=O)c2ccncc2)CC1C
InChIInChI=1S/C13H19N3O/c1-10-9-16(8-5-12(10)14-2)13(17)11-3-6-15-7-4-11/h3-4,6-7,10,12,14H,5,8-9H2,1-2H3
InChIKeyOIULEJOCMBULAM-UHFFFAOYSA-N
XLogP1.15
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-methyl-4-(methylamino)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 114498148
(2,6-difluorophenyl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 114498326
N,3-dimethyl-4-(methylamino)piperidine-1-carboxamide
CID 114498742
[3-methyl-4-(methylamino)piperidin-1-yl]-quinolin-4-ylmethanone
CID 114498251
(3-hydroxypyrrolidin-1-yl)-pyridin-4-ylmethanone
CID 62917595
(2-hydroxy-5-methylphenyl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 114498328
(2,5-dimethylpyrazol-3-yl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 114498196
(3S,4R)-3-methyl-4-(methylamino)piperidine-1-carboxylic acid
CID 66707575
(1,3-dimethylpyrazol-4-yl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 102801015
3-methyl-4-(methylamino)piperidine-1-carboxamide
CID 114498750
[4-(ethylamino)-3-methylpiperidin-1-yl]-(4-methylphenyl)methanone
CID 114498414
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 112627475

Frequently Asked Questions

What is the IUPAC name of [3-methyl-4-(methylamino)piperidin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [3-methyl-4-(methylamino)piperidin-1-yl]-pyridin-4-ylmethanone (CID 114498294) is [3-methyl-4-(methylamino)piperidin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [3-methyl-4-(methylamino)piperidin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [3-methyl-4-(methylamino)piperidin-1-yl]-pyridin-4-ylmethanone is CNC1CCN(C(=O)c2ccncc2)CC1C.
What is the InChIKey of [3-methyl-4-(methylamino)piperidin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is OIULEJOCMBULAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-10-9-16(8-5-12(10)14-2)13(17)11-3-6-15-7-4-11/h3-4,6-7,10,12,14H,5,8-9H2,1-2H3.
What are the key properties of [3-methyl-4-(methylamino)piperidin-1-yl]-pyridin-4-ylmethanone?
[3-methyl-4-(methylamino)piperidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 233.31 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-4-(methylamino)piperidin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 114498294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).