1-(2-methylphenyl)-4-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperazin-2-one

C21H23N3O2 — CID 78081955

IUPAC1-(2-methylphenyl)-4-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperazin-2-one
SMILESCc1ccccc1N1CCN(C(=O)C2Cc3ccccc3CN2)CC1=O
InChIInChI=1S/C21H23N3O2/c1-15-6-2-5-9-19(15)24-11-10-23(14-20(24)25)21(26)18-12-16-7-3-4-8-17(16)13-22-18/h2-9,18,22H,10-14H2,1H3
InChIKeyFXULYMBOWYLWHP-UHFFFAOYSA-N
MW349.43 g/mol
LogP1.88
Rot. Bonds2

About 1-(2-methylphenyl)-4-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperazin-2-one

1-(2-methylphenyl)-4-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperazin-2-one (PubChem CID 78081955) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 1-(2-methylphenyl)-4-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name1-(2-methylphenyl)-4-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperazin-2-one
PubChem CID78081955
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name1-(2-methylphenyl)-4-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperazin-2-one
SMILESCc1ccccc1N1CCN(C(=O)C2Cc3ccccc3CN2)CC1=O
InChIInChI=1S/C21H23N3O2/c1-15-6-2-5-9-19(15)24-11-10-23(14-20(24)25)21(26)18-12-16-7-3-4-8-17(16)13-22-18/h2-9,18,22H,10-14H2,1H3
InChIKeyFXULYMBOWYLWHP-UHFFFAOYSA-N
XLogP1.88
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methylpiperazin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
CID 4911281
azocan-1-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
CID 43211891
piperazin-1-yl-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone
CID 93101281
azepan-1-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone;hydrochloride
CID 119261624
1-(2-methylphenyl)-4-(2-phenylbenzoyl)piperazin-2-one
CID 70760494
[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
CID 107220658
(3-hydroxy-4-methylpiperidin-1-yl)-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone
CID 102957156
1-(2-methylphenyl)-4-[(3S)-6-oxo-1-prop-2-enylpiperidine-3-carbonyl]piperazin-2-one
CID 96580849
[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 63633373
(4R)-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(2-methylphenyl)pyrrolidin-2-one
CID 9350947
[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone;dihydrochloride
CID 154896567
(4-methoxypiperidin-1-yl)-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone
CID 61156076

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-4-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperazin-2-one?
The IUPAC name of 1-(2-methylphenyl)-4-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperazin-2-one (CID 78081955) is 1-(2-methylphenyl)-4-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperazin-2-one.
What is the SMILES notation for 1-(2-methylphenyl)-4-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperazin-2-one?
The canonical SMILES for 1-(2-methylphenyl)-4-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperazin-2-one is Cc1ccccc1N1CCN(C(=O)C2Cc3ccccc3CN2)CC1=O.
What is the InChIKey of 1-(2-methylphenyl)-4-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperazin-2-one?
The InChIKey is FXULYMBOWYLWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-15-6-2-5-9-19(15)24-11-10-23(14-20(24)25)21(26)18-12-16-7-3-4-8-17(16)13-22-18/h2-9,18,22H,10-14H2,1H3.
What are the key properties of 1-(2-methylphenyl)-4-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperazin-2-one?
1-(2-methylphenyl)-4-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperazin-2-one has a molecular weight of 349.43 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-4-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperazin-2-one is sourced from PubChem (CID 78081955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).