3-[3-(dimethylamino)propoxy]-1-(piperidin-4-ylmethyl)pyridin-2-one

C16H27N3O2 — CID 82151025

IUPAC3-[3-(dimethylamino)propoxy]-1-(piperidin-4-ylmethyl)pyridin-2-one
SMILESCN(C)CCCOc1cccn(CC2CCNCC2)c1=O
InChIInChI=1S/C16H27N3O2/c1-18(2)10-4-12-21-15-5-3-11-19(16(15)20)13-14-6-8-17-9-7-14/h3,5,11,14,17H,4,6-10,12-13H2,1-2H3
InChIKeyVKTNGEZMHOATIV-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.18
Rot. Bonds7

About 3-[3-(dimethylamino)propoxy]-1-(piperidin-4-ylmethyl)pyridin-2-one

3-[3-(dimethylamino)propoxy]-1-(piperidin-4-ylmethyl)pyridin-2-one (PubChem CID 82151025) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 3-[3-(dimethylamino)propoxy]-1-(piperidin-4-ylmethyl)pyridin-2-one.

Molecular Properties

Compound Name3-[3-(dimethylamino)propoxy]-1-(piperidin-4-ylmethyl)pyridin-2-one
PubChem CID82151025
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name3-[3-(dimethylamino)propoxy]-1-(piperidin-4-ylmethyl)pyridin-2-one
SMILESCN(C)CCCOc1cccn(CC2CCNCC2)c1=O
InChIInChI=1S/C16H27N3O2/c1-18(2)10-4-12-21-15-5-3-11-19(16(15)20)13-14-6-8-17-9-7-14/h3,5,11,14,17H,4,6-10,12-13H2,1-2H3
InChIKeyVKTNGEZMHOATIV-UHFFFAOYSA-N
XLogP1.18
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[3-(dimethylamino)propoxy]-1-piperidin-4-ylpyridin-2-one
CID 82144429
1-(4-aminobutyl)-3-[2-(dimethylamino)ethoxy]pyridin-2-one
CID 82143334
N,N-dimethyl-2-[2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]phenoxy]ethanamine
CID 120848506
2-oxo-1-(piperidin-4-ylmethyl)pyridine-3-carbonitrile
CID 84682804
4-[[3-[2-(dimethylamino)ethoxy]-2-oxo-1-pyridinyl]methyl]benzonitrile
CID 82150670
2-(piperidin-4-ylmethyl)-6-propoxyisoquinolin-1-one
CID 82151062
1-ethyl-3-(piperidin-4-ylmethyl)imidazol-2-one
CID 80580950
1-(cyclopropylmethyl)-3-ethylpyridin-2-one
CID 178099150
1-(cyclopentylmethyl)-3-methylpyridin-2-one
CID 115746868
1-(piperidin-4-ylmethyl)-3-propan-2-ylimidazol-2-one
CID 80581118
4-[2-(2-ethoxyphenoxy)ethyl]piperidine;hydrochloride
CID 56830114
4-fluoro-1-(piperidin-4-ylmethyl)pyridin-2-one
CID 90038622

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)propoxy]-1-(piperidin-4-ylmethyl)pyridin-2-one?
The IUPAC name of 3-[3-(dimethylamino)propoxy]-1-(piperidin-4-ylmethyl)pyridin-2-one (CID 82151025) is 3-[3-(dimethylamino)propoxy]-1-(piperidin-4-ylmethyl)pyridin-2-one.
What is the SMILES notation for 3-[3-(dimethylamino)propoxy]-1-(piperidin-4-ylmethyl)pyridin-2-one?
The canonical SMILES for 3-[3-(dimethylamino)propoxy]-1-(piperidin-4-ylmethyl)pyridin-2-one is CN(C)CCCOc1cccn(CC2CCNCC2)c1=O.
What is the InChIKey of 3-[3-(dimethylamino)propoxy]-1-(piperidin-4-ylmethyl)pyridin-2-one?
The InChIKey is VKTNGEZMHOATIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-18(2)10-4-12-21-15-5-3-11-19(16(15)20)13-14-6-8-17-9-7-14/h3,5,11,14,17H,4,6-10,12-13H2,1-2H3.
What are the key properties of 3-[3-(dimethylamino)propoxy]-1-(piperidin-4-ylmethyl)pyridin-2-one?
3-[3-(dimethylamino)propoxy]-1-(piperidin-4-ylmethyl)pyridin-2-one has a molecular weight of 293.41 g/mol, XLogP of 1.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)propoxy]-1-(piperidin-4-ylmethyl)pyridin-2-one is sourced from PubChem (CID 82151025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).