4-phenyl-2-(3-piperidin-1-ylpropyl)isoquinolin-1-one

C23H26N2O — CID 13174741

IUPAC4-phenyl-2-(3-piperidin-1-ylpropyl)isoquinolin-1-one
SMILESO=c1c2ccccc2c(-c2ccccc2)cn1CCCN1CCCCC1
InChIInChI=1S/C23H26N2O/c26-23-21-13-6-5-12-20(21)22(19-10-3-1-4-11-19)18-25(23)17-9-16-24-14-7-2-8-15-24/h1,3-6,10-13,18H,2,7-9,14-17H2
InChIKeyYQNBFZDAUUOPDO-UHFFFAOYSA-N
MW346.47 g/mol
LogP4.54
Rot. Bonds5

About 4-phenyl-2-(3-piperidin-1-ylpropyl)isoquinolin-1-one

4-phenyl-2-(3-piperidin-1-ylpropyl)isoquinolin-1-one (PubChem CID 13174741) has the molecular formula C23H26N2O and a molecular weight of 346.47 g/mol. Its IUPAC name is 4-phenyl-2-(3-piperidin-1-ylpropyl)isoquinolin-1-one.

Molecular Properties

Compound Name4-phenyl-2-(3-piperidin-1-ylpropyl)isoquinolin-1-one
PubChem CID13174741
Molecular FormulaC23H26N2O
Molecular Weight346.47 g/mol
Exact Mass346.20
IUPAC Name4-phenyl-2-(3-piperidin-1-ylpropyl)isoquinolin-1-one
SMILESO=c1c2ccccc2c(-c2ccccc2)cn1CCCN1CCCCC1
InChIInChI=1S/C23H26N2O/c26-23-21-13-6-5-12-20(21)22(19-10-3-1-4-11-19)18-25(23)17-9-16-24-14-7-2-8-15-24/h1,3-6,10-13,18H,2,7-9,14-17H2
InChIKeyYQNBFZDAUUOPDO-UHFFFAOYSA-N
XLogP4.54
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3-pyrrolidin-1-ylpropyl)indol-3-yl]acetic acid
CID 61493986
2-(3-pyrrolidin-1-ylpropyl)isoindole-1,3-dione
CID 12612173
3-(5-phenyl-3-pyridinyl)-1-(3-piperidin-1-ylpropyl)pyrrolo[3,2-b]pyridine
CID 70128353
2-methyl-4-phenyl-3-(pyrrolidin-1-ylmethyl)isoquinolin-1-one
CID 22555926
2-[3-(dimethylamino)-2-methylpropyl]-4-phenylisoquinolin-1-one
CID 12812996
3-(3-phenylindol-1-yl)propan-1-amine
CID 15134122
1-[3-(4-phenylphenoxy)propyl]piperidine
CID 56683751
3-[6-fluoro-1-(3-piperidin-1-ylpropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410486
2-butyl-4-(4-tert-butyl-3,5-difluorophenyl)isoquinolin-1-one
CID 167653033
2-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]-N-(3-pyrrolidin-1-ylpropyl)acetamide
CID 122174616
1-naphthalen-1-yl-6-piperidin-1-ylhexan-1-one
CID 54160942
1-[3-[4-(4-chlorophenyl)-5-phenyltriazol-2-yl]propyl]piperidine
CID 24985582

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-(3-piperidin-1-ylpropyl)isoquinolin-1-one?
The IUPAC name of 4-phenyl-2-(3-piperidin-1-ylpropyl)isoquinolin-1-one (CID 13174741) is 4-phenyl-2-(3-piperidin-1-ylpropyl)isoquinolin-1-one.
What is the SMILES notation for 4-phenyl-2-(3-piperidin-1-ylpropyl)isoquinolin-1-one?
The canonical SMILES for 4-phenyl-2-(3-piperidin-1-ylpropyl)isoquinolin-1-one is O=c1c2ccccc2c(-c2ccccc2)cn1CCCN1CCCCC1.
What is the InChIKey of 4-phenyl-2-(3-piperidin-1-ylpropyl)isoquinolin-1-one?
The InChIKey is YQNBFZDAUUOPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O/c26-23-21-13-6-5-12-20(21)22(19-10-3-1-4-11-19)18-25(23)17-9-16-24-14-7-2-8-15-24/h1,3-6,10-13,18H,2,7-9,14-17H2.
What are the key properties of 4-phenyl-2-(3-piperidin-1-ylpropyl)isoquinolin-1-one?
4-phenyl-2-(3-piperidin-1-ylpropyl)isoquinolin-1-one has a molecular weight of 346.47 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-(3-piperidin-1-ylpropyl)isoquinolin-1-one is sourced from PubChem (CID 13174741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).