1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(3-morpholin-4-ylphenyl)piperazin-2-one

C26H34N4O3 — CID 75593268

IUPAC1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(3-morpholin-4-ylphenyl)piperazin-2-one
SMILESO=C1CN(c2cccc(N3CCOCC3)c2)CCN1CC(O)CN1CCc2ccccc2C1
InChIInChI=1S/C26H34N4O3/c31-25(18-27-9-8-21-4-1-2-5-22(21)17-27)19-30-11-10-29(20-26(30)32)24-7-3-6-23(16-24)28-12-14-33-15-13-28/h1-7,16,25,31H,8-15,17-20H2
InChIKeyMPULRIJCRYYIQS-UHFFFAOYSA-N
MW450.58 g/mol
LogP1.59
Rot. Bonds6

About 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(3-morpholin-4-ylphenyl)piperazin-2-one

1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(3-morpholin-4-ylphenyl)piperazin-2-one (PubChem CID 75593268) has the molecular formula C26H34N4O3 and a molecular weight of 450.58 g/mol. Its IUPAC name is 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(3-morpholin-4-ylphenyl)piperazin-2-one.

Molecular Properties

Compound Name1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(3-morpholin-4-ylphenyl)piperazin-2-one
PubChem CID75593268
Molecular FormulaC26H34N4O3
Molecular Weight450.58 g/mol
Exact Mass450.26
IUPAC Name1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(3-morpholin-4-ylphenyl)piperazin-2-one
SMILESO=C1CN(c2cccc(N3CCOCC3)c2)CCN1CC(O)CN1CCc2ccccc2C1
InChIInChI=1S/C26H34N4O3/c31-25(18-27-9-8-21-4-1-2-5-22(21)17-27)19-30-11-10-29(20-26(30)32)24-7-3-6-23(16-24)28-12-14-33-15-13-28/h1-7,16,25,31H,8-15,17-20H2
InChIKeyMPULRIJCRYYIQS-UHFFFAOYSA-N
XLogP1.59
TPSA59.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.58
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(3-morpholin-4-ylphenyl)piperazin-2-one with MolForge

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Related Compounds

1-[(3S)-3-(morpholine-4-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[4-(2-phenylphenyl)piperazin-1-yl]pentan-1-one
CID 118731363
1-[(3S)-3-(morpholine-4-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]-7-[4-(2-phenylphenyl)piperazin-1-yl]heptan-1-one
CID 118731366
4-(3-chlorophenyl)-1-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl)piperazin-2-one
CID 76684522
1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(3-fluorophenyl)piperazin-2-one
CID 76684523
4-(4-chlorophenyl)-1-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl)piperazin-2-one
CID 76684524
1-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl)-4-(p-tolyl)piperazin-2-one
CID 76684618
1-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[2-(dimethylamino)phenyl]piperazin-2-one
CID 76684828
1-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[4-(dimethylamino)phenyl]piperazin-2-one
CID 76684829
2-anilino-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide
CID 117835361
1-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl)-4-(m-tolyl)piperazin-2-one
CID 76684430
1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(2-methylphenyl)piperazin-2-one
CID 76684615
1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(2-fluorophenyl)piperazin-2-one
CID 76684616

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(3-morpholin-4-ylphenyl)piperazin-2-one?
The IUPAC name of 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(3-morpholin-4-ylphenyl)piperazin-2-one (CID 75593268) is 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(3-morpholin-4-ylphenyl)piperazin-2-one.
What is the SMILES notation for 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(3-morpholin-4-ylphenyl)piperazin-2-one?
The canonical SMILES for 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(3-morpholin-4-ylphenyl)piperazin-2-one is O=C1CN(c2cccc(N3CCOCC3)c2)CCN1CC(O)CN1CCc2ccccc2C1.
What is the InChIKey of 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(3-morpholin-4-ylphenyl)piperazin-2-one?
The InChIKey is MPULRIJCRYYIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O3/c31-25(18-27-9-8-21-4-1-2-5-22(21)17-27)19-30-11-10-29(20-26(30)32)24-7-3-6-23(16-24)28-12-14-33-15-13-28/h1-7,16,25,31H,8-15,17-20H2.
What are the key properties of 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(3-morpholin-4-ylphenyl)piperazin-2-one?
1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(3-morpholin-4-ylphenyl)piperazin-2-one has a molecular weight of 450.58 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(3-morpholin-4-ylphenyl)piperazin-2-one is sourced from PubChem (CID 75593268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).