3-[[4-[2-(1,3-benzodioxol-4-yl)ethyl]piperidin-1-yl]methyl]-1H-pyridin-2-one

C20H24N2O3 — CID 22678356

IUPAC3-[[4-[2-(1,3-benzodioxol-4-yl)ethyl]piperidin-1-yl]methyl]-1H-pyridin-2-one
SMILESO=c1[nH]cccc1CN1CCC(CCc2cccc3c2OCO3)CC1
InChIInChI=1S/C20H24N2O3/c23-20-17(4-2-10-21-20)13-22-11-8-15(9-12-22)6-7-16-3-1-5-18-19(16)25-14-24-18/h1-5,10,15H,6-9,11-14H2,(H,21,23)
InChIKeyYTAMUGKUXQSWQE-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.95
Rot. Bonds5

About 3-[[4-[2-(1,3-benzodioxol-4-yl)ethyl]piperidin-1-yl]methyl]-1H-pyridin-2-one

3-[[4-[2-(1,3-benzodioxol-4-yl)ethyl]piperidin-1-yl]methyl]-1H-pyridin-2-one (PubChem CID 22678356) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 3-[[4-[2-(1,3-benzodioxol-4-yl)ethyl]piperidin-1-yl]methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[[4-[2-(1,3-benzodioxol-4-yl)ethyl]piperidin-1-yl]methyl]-1H-pyridin-2-one
PubChem CID22678356
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name3-[[4-[2-(1,3-benzodioxol-4-yl)ethyl]piperidin-1-yl]methyl]-1H-pyridin-2-one
SMILESO=c1[nH]cccc1CN1CCC(CCc2cccc3c2OCO3)CC1
InChIInChI=1S/C20H24N2O3/c23-20-17(4-2-10-21-20)13-22-11-8-15(9-12-22)6-7-16-3-1-5-18-19(16)25-14-24-18/h1-5,10,15H,6-9,11-14H2,(H,21,23)
InChIKeyYTAMUGKUXQSWQE-UHFFFAOYSA-N
XLogP2.95
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[4-[2-(1,3-benzodioxol-4-yl)ethyl]piperidin-1-yl]methyl]-1H-pyridin-2-one with MolForge

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Related Compounds

2-[[4-[2-(1,3-benzodioxol-4-yl)ethyl]piperidin-1-yl]methyl]-6-bromopyridine
CID 22678575
3-[[4-[2-(1,3-benzodioxol-4-yl)ethyl]piperidin-1-yl]methyl]-3,4-dihydro-1H-quinolin-2-one
CID 70098234
1-(1,3-benzodioxol-4-ylmethyl)-4-ethylpiperazine
CID 70905419
tert-butyl 4-[2-(2-oxo-1H-pyridin-3-yl)ethyl]piperidine-1-carboxylate
CID 19380941
N-(1,3-benzodioxol-4-ylmethyl)-1-[(2-methylphenyl)methyl]piperidin-4-amine
CID 56796579
3-[1-(1,3-benzodioxol-4-ylmethyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 42595602
10-[(2-oxo-1H-pyridin-3-yl)methyl]-7-[2-[2-(trifluoromethoxy)phenyl]ethyl]-1,4-dioxa-10-azaspiro[4.5]decane-2,3-dione
CID 142656778
3-[[4-[2-phenyl-2-(1,3-thiazol-2-yl)ethyl]piperidin-1-yl]methyl]-1H-pyridin-2-one
CID 90907176
N-(1,3-benzodioxol-4-ylmethyl)-1-(1-ethylpyrrolidin-3-yl)methanamine
CID 60855681
3-[[1-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-1,3,5,7,9,11,13-heptaenylmethyl)piperidin-4-yl]methyl]-1H-pyridin-2-one
CID 142637517
3-(1,3-benzodioxol-4-yl)-1-piperazin-1-ylpropan-1-one
CID 110833385
(2S)-1-[4-[(1,3-benzodioxol-4-ylmethylamino)methyl]piperidin-1-yl]propan-2-ol
CID 95275018

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[2-(1,3-benzodioxol-4-yl)ethyl]piperidin-1-yl]methyl]-1H-pyridin-2-one?
The IUPAC name of 3-[[4-[2-(1,3-benzodioxol-4-yl)ethyl]piperidin-1-yl]methyl]-1H-pyridin-2-one (CID 22678356) is 3-[[4-[2-(1,3-benzodioxol-4-yl)ethyl]piperidin-1-yl]methyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[[4-[2-(1,3-benzodioxol-4-yl)ethyl]piperidin-1-yl]methyl]-1H-pyridin-2-one?
The canonical SMILES for 3-[[4-[2-(1,3-benzodioxol-4-yl)ethyl]piperidin-1-yl]methyl]-1H-pyridin-2-one is O=c1[nH]cccc1CN1CCC(CCc2cccc3c2OCO3)CC1.
What is the InChIKey of 3-[[4-[2-(1,3-benzodioxol-4-yl)ethyl]piperidin-1-yl]methyl]-1H-pyridin-2-one?
The InChIKey is YTAMUGKUXQSWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c23-20-17(4-2-10-21-20)13-22-11-8-15(9-12-22)6-7-16-3-1-5-18-19(16)25-14-24-18/h1-5,10,15H,6-9,11-14H2,(H,21,23).
What are the key properties of 3-[[4-[2-(1,3-benzodioxol-4-yl)ethyl]piperidin-1-yl]methyl]-1H-pyridin-2-one?
3-[[4-[2-(1,3-benzodioxol-4-yl)ethyl]piperidin-1-yl]methyl]-1H-pyridin-2-one has a molecular weight of 340.42 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[2-(1,3-benzodioxol-4-yl)ethyl]piperidin-1-yl]methyl]-1H-pyridin-2-one is sourced from PubChem (CID 22678356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).