3-[3-(methylamino)piperidin-1-yl]-2H-isoquinolin-1-one

C15H19N3O — CID 55084279

IUPAC3-[3-(methylamino)piperidin-1-yl]-2H-isoquinolin-1-one
SMILESCNC1CCCN(c2cc3ccccc3c(=O)[nH]2)C1
InChIInChI=1S/C15H19N3O/c1-16-12-6-4-8-18(10-12)14-9-11-5-2-3-7-13(11)15(19)17-14/h2-3,5,7,9,12,16H,4,6,8,10H2,1H3,(H,17,19)
InChIKeyQPPCVPSASKTWSM-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.72
Rot. Bonds2

About 3-[3-(methylamino)piperidin-1-yl]-2H-isoquinolin-1-one

3-[3-(methylamino)piperidin-1-yl]-2H-isoquinolin-1-one (PubChem CID 55084279) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-[3-(methylamino)piperidin-1-yl]-2H-isoquinolin-1-one.

Molecular Properties

Compound Name3-[3-(methylamino)piperidin-1-yl]-2H-isoquinolin-1-one
PubChem CID55084279
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name3-[3-(methylamino)piperidin-1-yl]-2H-isoquinolin-1-one
SMILESCNC1CCCN(c2cc3ccccc3c(=O)[nH]2)C1
InChIInChI=1S/C15H19N3O/c1-16-12-6-4-8-18(10-12)14-9-11-5-2-3-7-13(11)15(19)17-14/h2-3,5,7,9,12,16H,4,6,8,10H2,1H3,(H,17,19)
InChIKeyQPPCVPSASKTWSM-UHFFFAOYSA-N
XLogP1.72
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3R)-3-aminopiperidin-1-yl]-2H-isoquinolin-1-one
CID 102986196
2-[1-(1-oxo-2H-isoquinolin-3-yl)piperidin-3-yl]acetic acid
CID 62689067
3-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2H-isoquinolin-1-one
CID 115314734
3-piperazin-1-yl-2H-isoquinolin-1-one
CID 54939199
1-oxo-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]-2H-isoquinoline-3-carboxamide
CID 95580335
3-[4-ethyl-3-(hydroxymethyl)piperazin-1-yl]-2H-isoquinolin-1-one
CID 22931194
3-(4-propylpiperazin-1-yl)-2H-isoquinolin-1-one
CID 22931113
3-[3-(hydroxymethyl)-4-propylpiperazin-1-yl]-2H-isoquinolin-1-one
CID 22931250
3-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2H-isoquinolin-1-one
CID 63310153
2-[2-[3-(methylamino)piperidin-1-yl]ethyl]-3H-quinazolin-4-one;hydrochloride
CID 137136922
3-[(1-ethylpiperidin-4-yl)amino]-2H-isoquinolin-1-one
CID 61039289
N-methyl-1-naphthalen-1-ylsulfonylpiperidin-3-amine;hydrochloride
CID 120714484

Frequently Asked Questions

What is the IUPAC name of 3-[3-(methylamino)piperidin-1-yl]-2H-isoquinolin-1-one?
The IUPAC name of 3-[3-(methylamino)piperidin-1-yl]-2H-isoquinolin-1-one (CID 55084279) is 3-[3-(methylamino)piperidin-1-yl]-2H-isoquinolin-1-one.
What is the SMILES notation for 3-[3-(methylamino)piperidin-1-yl]-2H-isoquinolin-1-one?
The canonical SMILES for 3-[3-(methylamino)piperidin-1-yl]-2H-isoquinolin-1-one is CNC1CCCN(c2cc3ccccc3c(=O)[nH]2)C1.
What is the InChIKey of 3-[3-(methylamino)piperidin-1-yl]-2H-isoquinolin-1-one?
The InChIKey is QPPCVPSASKTWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-16-12-6-4-8-18(10-12)14-9-11-5-2-3-7-13(11)15(19)17-14/h2-3,5,7,9,12,16H,4,6,8,10H2,1H3,(H,17,19).
What are the key properties of 3-[3-(methylamino)piperidin-1-yl]-2H-isoquinolin-1-one?
3-[3-(methylamino)piperidin-1-yl]-2H-isoquinolin-1-one has a molecular weight of 257.34 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(methylamino)piperidin-1-yl]-2H-isoquinolin-1-one is sourced from PubChem (CID 55084279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).