6-(piperidin-3-ylmethyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-one

C16H20N2O3 — CID 19803711

IUPAC6-(piperidin-3-ylmethyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-one
SMILESO=C1c2cc3c(cc2CCN1CC1CCCNC1)OCO3
InChIInChI=1S/C16H20N2O3/c19-16-13-7-15-14(20-10-21-15)6-12(13)3-5-18(16)9-11-2-1-4-17-8-11/h6-7,11,17H,1-5,8-10H2
InChIKeyZAUNZGJMEBRNQD-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.41
Rot. Bonds2

About 6-(piperidin-3-ylmethyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-one

6-(piperidin-3-ylmethyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-one (PubChem CID 19803711) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 6-(piperidin-3-ylmethyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-one.

Molecular Properties

Compound Name6-(piperidin-3-ylmethyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-one
PubChem CID19803711
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name6-(piperidin-3-ylmethyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-one
SMILESO=C1c2cc3c(cc2CCN1CC1CCCNC1)OCO3
InChIInChI=1S/C16H20N2O3/c19-16-13-7-15-14(20-10-21-15)6-12(13)3-5-18(16)9-11-2-1-4-17-8-11/h6-7,11,17H,1-5,8-10H2
InChIKeyZAUNZGJMEBRNQD-UHFFFAOYSA-N
XLogP1.41
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(piperidin-3-ylmethyl)-4,5-dihydro-3H-2-benzazepin-1-one
CID 104525998
6-[[1-(3-naphthalen-1-yloxypropyl)piperidin-3-yl]methyl]-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-one;hydrochloride
CID 139722039
6-[[1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-3-yl]methyl]-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-one;hydrochloride
CID 19803653
2-[[1-[3-(1,3-benzodioxol-5-yl)propyl]piperidin-3-yl]methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-1-one;hydrochloride
CID 19803695
4-(pyrrolidin-3-ylmethyl)-2,3-dihydro-1,4-benzoxazepin-5-one
CID 113422832
6-[[1-[2-hydroxy-3-(6-methoxynaphthalen-1-yl)propyl]piperidin-3-yl]methyl]-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-one
CID 19804182
3-[(6-methyl-1,3-benzodioxol-5-yl)methyl]piperidine
CID 84796209
3-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]piperidine
CID 116925655
3-[(7-nitro-1,3-benzodioxol-5-yl)methyl]piperidine
CID 116987864
2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline
CID 24703662
3-[[(3R)-piperidin-3-yl]methyl]-1,4-dihydroquinazolin-2-one
CID 97169092
6-hydroxy-2-(oxan-4-ylmethyl)-3,4-dihydroisoquinolin-1-one
CID 155349008

Frequently Asked Questions

What is the IUPAC name of 6-(piperidin-3-ylmethyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-one?
The IUPAC name of 6-(piperidin-3-ylmethyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-one (CID 19803711) is 6-(piperidin-3-ylmethyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-one.
What is the SMILES notation for 6-(piperidin-3-ylmethyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-one?
The canonical SMILES for 6-(piperidin-3-ylmethyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-one is O=C1c2cc3c(cc2CCN1CC1CCCNC1)OCO3.
What is the InChIKey of 6-(piperidin-3-ylmethyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-one?
The InChIKey is ZAUNZGJMEBRNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c19-16-13-7-15-14(20-10-21-15)6-12(13)3-5-18(16)9-11-2-1-4-17-8-11/h6-7,11,17H,1-5,8-10H2.
What are the key properties of 6-(piperidin-3-ylmethyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-one?
6-(piperidin-3-ylmethyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-one has a molecular weight of 288.35 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(piperidin-3-ylmethyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-one is sourced from PubChem (CID 19803711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).