(4R)-4-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]piperidine-1-carbonyl]imidazolidin-2-one

C21H28N4O3 — CID 97276683

IUPAC(4R)-4-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]piperidine-1-carbonyl]imidazolidin-2-one
SMILESO=C1NC[C@H](C(=O)N2CCC(CCC(=O)N3CCc4ccccc4C3)CC2)N1
InChIInChI=1S/C21H28N4O3/c26-19(25-12-9-16-3-1-2-4-17(16)14-25)6-5-15-7-10-24(11-8-15)20(27)18-13-22-21(28)23-18/h1-4,15,18H,5-14H2,(H2,22,23,28)/t18-/m1/s1
InChIKeyOFFFUCQGUDSIHM-GOSISDBHSA-N
MW384.48 g/mol
LogP1.27
Rot. Bonds4

About (4R)-4-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]piperidine-1-carbonyl]imidazolidin-2-one

(4R)-4-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]piperidine-1-carbonyl]imidazolidin-2-one (PubChem CID 97276683) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is (4R)-4-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]piperidine-1-carbonyl]imidazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]piperidine-1-carbonyl]imidazolidin-2-one
PubChem CID97276683
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Name(4R)-4-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]piperidine-1-carbonyl]imidazolidin-2-one
SMILESO=C1NC[C@H](C(=O)N2CCC(CCC(=O)N3CCc4ccccc4C3)CC2)N1
InChIInChI=1S/C21H28N4O3/c26-19(25-12-9-16-3-1-2-4-17(16)14-25)6-5-15-7-10-24(11-8-15)20(27)18-13-22-21(28)23-18/h1-4,15,18H,5-14H2,(H2,22,23,28)/t18-/m1/s1
InChIKeyOFFFUCQGUDSIHM-GOSISDBHSA-N
XLogP1.27
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4R)-4-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]piperidine-1-carbonyl]imidazolidin-2-one with MolForge

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Related Compounds

1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[1-(2,5-dihydro-1H-pyrrole-2-carbonyl)piperidin-4-yl]propan-1-one;hydrochloride
CID 154899757
3-[1-(2-chlorobenzoyl)piperidin-4-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 91913415
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-piperidin-2-ylpropan-1-one
CID 62210843
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]propan-1-one
CID 74229715
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxypropan-1-one
CID 82112750
3-[1-(benzenesulfonyl)piperidin-3-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 91913355
4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutanenitrile
CID 82113579
6-[[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]piperidin-1-yl]methyl]morpholin-3-one
CID 171994377
(3R)-3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
CID 51834816
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
5-(3,4-dihydro-1H-isoquinolin-2-yl)-5-oxopentanoic acid
CID 27396946
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]propan-1-one
CID 25298539

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]piperidine-1-carbonyl]imidazolidin-2-one?
The IUPAC name of (4R)-4-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]piperidine-1-carbonyl]imidazolidin-2-one (CID 97276683) is (4R)-4-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]piperidine-1-carbonyl]imidazolidin-2-one.
What is the SMILES notation for (4R)-4-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]piperidine-1-carbonyl]imidazolidin-2-one?
The canonical SMILES for (4R)-4-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]piperidine-1-carbonyl]imidazolidin-2-one is O=C1NC[C@H](C(=O)N2CCC(CCC(=O)N3CCc4ccccc4C3)CC2)N1.
What is the InChIKey of (4R)-4-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]piperidine-1-carbonyl]imidazolidin-2-one?
The InChIKey is OFFFUCQGUDSIHM-GOSISDBHSA-N. The full InChI is InChI=1S/C21H28N4O3/c26-19(25-12-9-16-3-1-2-4-17(16)14-25)6-5-15-7-10-24(11-8-15)20(27)18-13-22-21(28)23-18/h1-4,15,18H,5-14H2,(H2,22,23,28)/t18-/m1/s1.
What are the key properties of (4R)-4-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]piperidine-1-carbonyl]imidazolidin-2-one?
(4R)-4-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]piperidine-1-carbonyl]imidazolidin-2-one has a molecular weight of 384.48 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]piperidine-1-carbonyl]imidazolidin-2-one is sourced from PubChem (CID 97276683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).