1-methyl-3-(piperidin-4-ylmethylamino)pyridin-2-one

C12H19N3O — CID 171346454

IUPAC1-methyl-3-(piperidin-4-ylmethylamino)pyridin-2-one
SMILESCn1cccc(NCC2CCNCC2)c1=O
InChIInChI=1S/C12H19N3O/c1-15-8-2-3-11(12(15)16)14-9-10-4-6-13-7-5-10/h2-3,8,10,13-14H,4-7,9H2,1H3
InChIKeyCMODTPUUQNUXAG-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.80
Rot. Bonds3

About 1-methyl-3-(piperidin-4-ylmethylamino)pyridin-2-one

1-methyl-3-(piperidin-4-ylmethylamino)pyridin-2-one (PubChem CID 171346454) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-methyl-3-(piperidin-4-ylmethylamino)pyridin-2-one.

Molecular Properties

Compound Name1-methyl-3-(piperidin-4-ylmethylamino)pyridin-2-one
PubChem CID171346454
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-methyl-3-(piperidin-4-ylmethylamino)pyridin-2-one
SMILESCn1cccc(NCC2CCNCC2)c1=O
InChIInChI=1S/C12H19N3O/c1-15-8-2-3-11(12(15)16)14-9-10-4-6-13-7-5-10/h2-3,8,10,13-14H,4-7,9H2,1H3
InChIKeyCMODTPUUQNUXAG-UHFFFAOYSA-N
XLogP0.80
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-methyl-3-(piperidin-4-ylmethylamino)pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(piperidin-4-ylmethyl)pyridin-2(1H)-one
CID 44410571
[(1R)-3-methyl-1-[[2-(2-oxo-4-piperidin-1-yl-1-pyridinyl)acetyl]amino]butyl]boronic acid
CID 71697360
N-(3-methylbutyl)-2-(2-oxo-4-piperidin-1-yl-1-pyridinyl)acetamide
CID 90670068
N-(1-ethyl-6-oxo-3-pyridinyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 71849994
(3S)-1-methyl-4-(6-oxo-1H-pyridine-2-carbonyl)-3-propan-2-ylpiperazin-2-one
CID 164630136
5-Fluoro-1-(1-methylpiperidin-4-yl)-3-(propan-2-ylamino)pyridin-2-one
CID 137449036
1-[(3S)-1-(2-fluoroethyl)piperidin-3-yl]-3-(methylamino)pyridin-2-one
CID 137449077
1-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]-3-(methylamino)pyridin-2-one
CID 137449078
1-[1-(2,2-Difluoroethyl)piperidin-4-yl]-3-(propan-2-ylamino)pyridin-2-one
CID 137449097
1-[1-(2-Fluoroethyl)piperidin-4-yl]-3-(methylamino)pyridin-2-one
CID 137449100
1-[1-(2-Fluoroethyl)piperidin-3-yl]-3-(methylamino)pyridin-2-one
CID 137449107
1-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-3-(methylamino)pyridin-2-one
CID 137449525

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(piperidin-4-ylmethylamino)pyridin-2-one?
The IUPAC name of 1-methyl-3-(piperidin-4-ylmethylamino)pyridin-2-one (CID 171346454) is 1-methyl-3-(piperidin-4-ylmethylamino)pyridin-2-one.
What is the SMILES notation for 1-methyl-3-(piperidin-4-ylmethylamino)pyridin-2-one?
The canonical SMILES for 1-methyl-3-(piperidin-4-ylmethylamino)pyridin-2-one is Cn1cccc(NCC2CCNCC2)c1=O.
What is the InChIKey of 1-methyl-3-(piperidin-4-ylmethylamino)pyridin-2-one?
The InChIKey is CMODTPUUQNUXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-15-8-2-3-11(12(15)16)14-9-10-4-6-13-7-5-10/h2-3,8,10,13-14H,4-7,9H2,1H3.
What are the key properties of 1-methyl-3-(piperidin-4-ylmethylamino)pyridin-2-one?
1-methyl-3-(piperidin-4-ylmethylamino)pyridin-2-one has a molecular weight of 221.30 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(piperidin-4-ylmethylamino)pyridin-2-one is sourced from PubChem (CID 171346454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).