1-isoquinolin-7-yl-3-piperidin-1-ylpropan-1-one

C17H20N2O — CID 58514088

IUPAC1-isoquinolin-7-yl-3-piperidin-1-ylpropan-1-one
SMILESO=C(CCN1CCCCC1)c1ccc2ccncc2c1
InChIInChI=1S/C17H20N2O/c20-17(7-11-19-9-2-1-3-10-19)15-5-4-14-6-8-18-13-16(14)12-15/h4-6,8,12-13H,1-3,7,9-11H2
InChIKeyWHCORODMCVVNEH-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.29
Rot. Bonds4

About 1-isoquinolin-7-yl-3-piperidin-1-ylpropan-1-one

1-isoquinolin-7-yl-3-piperidin-1-ylpropan-1-one (PubChem CID 58514088) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-isoquinolin-7-yl-3-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-isoquinolin-7-yl-3-piperidin-1-ylpropan-1-one
PubChem CID58514088
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name1-isoquinolin-7-yl-3-piperidin-1-ylpropan-1-one
SMILESO=C(CCN1CCCCC1)c1ccc2ccncc2c1
InChIInChI=1S/C17H20N2O/c20-17(7-11-19-9-2-1-3-10-19)15-5-4-14-6-8-18-13-16(14)12-15/h4-6,8,12-13H,1-3,7,9-11H2
InChIKeyWHCORODMCVVNEH-UHFFFAOYSA-N
XLogP3.29
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-isoquinolin-7-yl-3-morpholin-4-ylpropan-1-one
CID 71156888
3-(azepan-1-yl)-1-[4-[3-(azepan-1-yl)propanoyl]phenyl]propan-1-one;dihydrochloride
CID 52997576
5-(azepan-1-yl)-1-naphthalen-2-ylpentan-1-one
CID 59229826
1-(1-benzothiophen-6-yl)-3-piperidin-1-ylpropan-1-one
CID 58514078
1-(3,4-difluorophenyl)-3-piperidin-1-ylpropan-1-one
CID 58514245
isoquinoline-7-carboxylic acid
CID 18468721
1-(3-methoxyphenyl)-3-piperidin-1-ylpropan-1-one
CID 46743519
1-(1,3-benzoxazol-5-yl)-3-piperidin-1-ylpropan-1-one
CID 58514109
3-morpholin-4-yl-1-naphthalen-2-ylpropan-1-one
CID 2807050
1-(4-phenoxyphenyl)-3-piperidin-1-ylpropan-1-one
CID 82051060
1-(4-fluoro-3-methylphenyl)-3-pyrrolidin-1-ylpropan-1-one
CID 82050231
1-(2-propan-2-yl-3H-benzimidazol-5-yl)-3-pyrrolidin-1-ylpropan-1-one
CID 82052731

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-7-yl-3-piperidin-1-ylpropan-1-one?
The IUPAC name of 1-isoquinolin-7-yl-3-piperidin-1-ylpropan-1-one (CID 58514088) is 1-isoquinolin-7-yl-3-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 1-isoquinolin-7-yl-3-piperidin-1-ylpropan-1-one?
The canonical SMILES for 1-isoquinolin-7-yl-3-piperidin-1-ylpropan-1-one is O=C(CCN1CCCCC1)c1ccc2ccncc2c1.
What is the InChIKey of 1-isoquinolin-7-yl-3-piperidin-1-ylpropan-1-one?
The InChIKey is WHCORODMCVVNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c20-17(7-11-19-9-2-1-3-10-19)15-5-4-14-6-8-18-13-16(14)12-15/h4-6,8,12-13H,1-3,7,9-11H2.
What are the key properties of 1-isoquinolin-7-yl-3-piperidin-1-ylpropan-1-one?
1-isoquinolin-7-yl-3-piperidin-1-ylpropan-1-one has a molecular weight of 268.36 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-7-yl-3-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 58514088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).