4-[[4-[2-(dimethylamino)ethyl]piperidin-1-yl]methyl]-1-methylpyridin-2-one

C16H27N3O — CID 75461791

IUPAC4-[[4-[2-(dimethylamino)ethyl]piperidin-1-yl]methyl]-1-methylpyridin-2-one
SMILESCN(C)CCC1CCN(Cc2ccn(C)c(=O)c2)CC1
InChIInChI=1S/C16H27N3O/c1-17(2)8-4-14-6-10-19(11-7-14)13-15-5-9-18(3)16(20)12-15/h5,9,12,14H,4,6-8,10-11,13H2,1-3H3
InChIKeyOWHKRMDQVYMZLZ-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.55
Rot. Bonds5

About 4-[[4-[2-(dimethylamino)ethyl]piperidin-1-yl]methyl]-1-methylpyridin-2-one

4-[[4-[2-(dimethylamino)ethyl]piperidin-1-yl]methyl]-1-methylpyridin-2-one (PubChem CID 75461791) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 4-[[4-[2-(dimethylamino)ethyl]piperidin-1-yl]methyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[[4-[2-(dimethylamino)ethyl]piperidin-1-yl]methyl]-1-methylpyridin-2-one
PubChem CID75461791
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name4-[[4-[2-(dimethylamino)ethyl]piperidin-1-yl]methyl]-1-methylpyridin-2-one
SMILESCN(C)CCC1CCN(Cc2ccn(C)c(=O)c2)CC1
InChIInChI=1S/C16H27N3O/c1-17(2)8-4-14-6-10-19(11-7-14)13-15-5-9-18(3)16(20)12-15/h5,9,12,14H,4,6-8,10-11,13H2,1-3H3
InChIKeyOWHKRMDQVYMZLZ-UHFFFAOYSA-N
XLogP1.55
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-1-methylpyridin-2-one
CID 75461517
1-methyl-4-[(4-phenoxypiperidin-1-yl)methyl]pyridin-2-one
CID 47545020
1-methyl-4-[[3-(trifluoromethyl)azetidin-1-yl]methyl]pyridin-2-one
CID 171994631
N-[1-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperidin-4-yl]cyclohexanecarboxamide
CID 75462417
4-[[4-[1,2-benzoxazol-3-ylmethyl(methyl)amino]piperidin-1-yl]methyl]-1-methylpyridin-2-one
CID 171328941
4-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-1-methylpyridin-2-one
CID 53191759
1-methyl-4-[[4-[2-(2-oxo-1-pyridinyl)ethyl]piperazin-1-yl]methyl]pyridin-2-one
CID 146125264
1-methyl-4-[[(3R)-3-methyl-4-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperazin-1-yl]methyl]pyridin-2-one
CID 94443902
2-[1-[(2,6-dichlorophenyl)methyl]piperidin-4-yl]-N,N-dimethylethanamine
CID 60543116
4-[(3-aminosulfanylazetidin-1-yl)methyl]-1-methylpyridin-2-one
CID 137403755
1-methyl-4-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]pyridin-2-one
CID 56813780
4-[[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1-methylpyridin-2-one
CID 126910675

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[2-(dimethylamino)ethyl]piperidin-1-yl]methyl]-1-methylpyridin-2-one?
The IUPAC name of 4-[[4-[2-(dimethylamino)ethyl]piperidin-1-yl]methyl]-1-methylpyridin-2-one (CID 75461791) is 4-[[4-[2-(dimethylamino)ethyl]piperidin-1-yl]methyl]-1-methylpyridin-2-one.
What is the SMILES notation for 4-[[4-[2-(dimethylamino)ethyl]piperidin-1-yl]methyl]-1-methylpyridin-2-one?
The canonical SMILES for 4-[[4-[2-(dimethylamino)ethyl]piperidin-1-yl]methyl]-1-methylpyridin-2-one is CN(C)CCC1CCN(Cc2ccn(C)c(=O)c2)CC1.
What is the InChIKey of 4-[[4-[2-(dimethylamino)ethyl]piperidin-1-yl]methyl]-1-methylpyridin-2-one?
The InChIKey is OWHKRMDQVYMZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-17(2)8-4-14-6-10-19(11-7-14)13-15-5-9-18(3)16(20)12-15/h5,9,12,14H,4,6-8,10-11,13H2,1-3H3.
What are the key properties of 4-[[4-[2-(dimethylamino)ethyl]piperidin-1-yl]methyl]-1-methylpyridin-2-one?
4-[[4-[2-(dimethylamino)ethyl]piperidin-1-yl]methyl]-1-methylpyridin-2-one has a molecular weight of 277.41 g/mol, XLogP of 1.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[2-(dimethylamino)ethyl]piperidin-1-yl]methyl]-1-methylpyridin-2-one is sourced from PubChem (CID 75461791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).