2-(1-benzylpiperidin-4-yl)-3,4-dihydroisoquinolin-1-one

C21H24N2O — CID 21430540

IUPAC2-(1-benzylpiperidin-4-yl)-3,4-dihydroisoquinolin-1-one
SMILESO=C1c2ccccc2CCN1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H24N2O/c24-21-20-9-5-4-8-18(20)10-15-23(21)19-11-13-22(14-12-19)16-17-6-2-1-3-7-17/h1-9,19H,10-16H2
InChIKeyOPXOZAGFWUHNBL-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.35
Rot. Bonds3

About 2-(1-benzylpiperidin-4-yl)-3,4-dihydroisoquinolin-1-one

2-(1-benzylpiperidin-4-yl)-3,4-dihydroisoquinolin-1-one (PubChem CID 21430540) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is 2-(1-benzylpiperidin-4-yl)-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name2-(1-benzylpiperidin-4-yl)-3,4-dihydroisoquinolin-1-one
PubChem CID21430540
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name2-(1-benzylpiperidin-4-yl)-3,4-dihydroisoquinolin-1-one
SMILESO=C1c2ccccc2CCN1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H24N2O/c24-21-20-9-5-4-8-18(20)10-15-23(21)19-11-13-22(14-12-19)16-17-6-2-1-3-7-17/h1-9,19H,10-16H2
InChIKeyOPXOZAGFWUHNBL-UHFFFAOYSA-N
XLogP3.35
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (E)-3-[4-[[4-(1-oxo-3,4-dihydroisoquinolin-2-yl)piperidin-1-yl]methyl]phenyl]prop-2-enoate
CID 67051197
3-(1-benzylpiperidin-4-yl)-4,5-dihydro-1H-1,3-benzodiazepin-2-one;molecular hydrogen
CID 143494207
6-(1-benzylpiperidin-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 50952033
2-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-3H-isoindol-1-one
CID 134788442
(7aS)-2-(1-benzylpiperidin-4-yl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one
CID 46222885
1-acetyl-3-(1-benzylpiperidin-4-yl)-2H-quinazolin-4-one
CID 139817345
1-(1-benzylpiperidin-4-yl)-3,4-dihydroquinolin-2-one
CID 10687182
6-[(1-benzylpiperidin-4-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 10617670
(13R,13aS)-13-(4-benzylpiperazine-1-carbonyl)-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinolin-8-one
CID 92655797
4-(1-benzylpiperidin-4-yl)morpholin-3-one;ethane
CID 145162351
1-(1-benzylpiperidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712027
1-(1-benzylpiperidin-4-yl)-4,4-diphenylimidazolidin-2-one
CID 11718536

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylpiperidin-4-yl)-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 2-(1-benzylpiperidin-4-yl)-3,4-dihydroisoquinolin-1-one (CID 21430540) is 2-(1-benzylpiperidin-4-yl)-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 2-(1-benzylpiperidin-4-yl)-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 2-(1-benzylpiperidin-4-yl)-3,4-dihydroisoquinolin-1-one is O=C1c2ccccc2CCN1C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-(1-benzylpiperidin-4-yl)-3,4-dihydroisoquinolin-1-one?
The InChIKey is OPXOZAGFWUHNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c24-21-20-9-5-4-8-18(20)10-15-23(21)19-11-13-22(14-12-19)16-17-6-2-1-3-7-17/h1-9,19H,10-16H2.
What are the key properties of 2-(1-benzylpiperidin-4-yl)-3,4-dihydroisoquinolin-1-one?
2-(1-benzylpiperidin-4-yl)-3,4-dihydroisoquinolin-1-one has a molecular weight of 320.44 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylpiperidin-4-yl)-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 21430540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).