1-[4-[(1R)-1-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]piperazin-1-yl]propan-1-one

C23H33N3O2 — CID 93208504

IUPAC1-[4-[(1R)-1-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN([C@@H](C(=O)N2CCc3ccccc3C2)C2CCCC2)CC1
InChIInChI=1S/C23H33N3O2/c1-2-21(27)24-13-15-25(16-14-24)22(19-8-4-5-9-19)23(28)26-12-11-18-7-3-6-10-20(18)17-26/h3,6-7,10,19,22H,2,4-5,8-9,11-17H2,1H3/t22-/m1/s1
InChIKeyYHYDLPCHRHOWOX-JOCHJYFZSA-N
MW383.54 g/mol
LogP2.68
Rot. Bonds4

About 1-[4-[(1R)-1-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]piperazin-1-yl]propan-1-one

1-[4-[(1R)-1-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]piperazin-1-yl]propan-1-one (PubChem CID 93208504) has the molecular formula C23H33N3O2 and a molecular weight of 383.54 g/mol. Its IUPAC name is 1-[4-[(1R)-1-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[(1R)-1-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]piperazin-1-yl]propan-1-one
PubChem CID93208504
Molecular FormulaC23H33N3O2
Molecular Weight383.54 g/mol
Exact Mass383.26
IUPAC Name1-[4-[(1R)-1-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN([C@@H](C(=O)N2CCc3ccccc3C2)C2CCCC2)CC1
InChIInChI=1S/C23H33N3O2/c1-2-21(27)24-13-15-25(16-14-24)22(19-8-4-5-9-19)23(28)26-12-11-18-7-3-6-10-20(18)17-26/h3,6-7,10,19,22H,2,4-5,8-9,11-17H2,1H3/t22-/m1/s1
InChIKeyYHYDLPCHRHOWOX-JOCHJYFZSA-N
XLogP2.68
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-[(1R)-1-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]piperazin-1-yl]propan-1-one with MolForge

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Launch Full Analysis

Related Compounds

1-[4-[1-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]piperazin-1-yl]propan-1-one
CID 24719869
2-cyclopentyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]ethanone
CID 46024080
2-cyclopentyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(4-methoxybenzoyl)piperazin-1-yl]ethanone
CID 46024083
1-[4-[(1R)-1-cyclopentyl-2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]propan-1-one
CID 93208314
1-[4-[(1S)-1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 93210582
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone
CID 111113728
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-methylpiperazin-1-yl)propane-1,3-dione
CID 108944341
1-[4-(1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-3-methylbutan-1-one
CID 24719217
2-(cyclopropylmethylamino)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone;hydrochloride
CID 71940480
1-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)butane-1,4-dione
CID 170265341
dicyclohexyl-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]azanium
CID 2105503
2-cyclopentyl-N-(2,4-difluorophenyl)-2-(4-propanoylpiperazin-1-yl)acetamide
CID 46027660

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1R)-1-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[(1R)-1-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]piperazin-1-yl]propan-1-one (CID 93208504) is 1-[4-[(1R)-1-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[(1R)-1-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[(1R)-1-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]piperazin-1-yl]propan-1-one is CCC(=O)N1CCN([C@@H](C(=O)N2CCc3ccccc3C2)C2CCCC2)CC1.
What is the InChIKey of 1-[4-[(1R)-1-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]piperazin-1-yl]propan-1-one?
The InChIKey is YHYDLPCHRHOWOX-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H33N3O2/c1-2-21(27)24-13-15-25(16-14-24)22(19-8-4-5-9-19)23(28)26-12-11-18-7-3-6-10-20(18)17-26/h3,6-7,10,19,22H,2,4-5,8-9,11-17H2,1H3/t22-/m1/s1.
What are the key properties of 1-[4-[(1R)-1-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]piperazin-1-yl]propan-1-one?
1-[4-[(1R)-1-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]piperazin-1-yl]propan-1-one has a molecular weight of 383.54 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1R)-1-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 93208504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).