(3R)-3-[5-[4-(2-hydroxyethyl)piperidin-1-yl]-3,4-dihydro-2H-quinolin-1-yl]piperidine-2,6-dione

C21H29N3O3 — CID 170437367

IUPAC(3R)-3-[5-[4-(2-hydroxyethyl)piperidin-1-yl]-3,4-dihydro-2H-quinolin-1-yl]piperidine-2,6-dione
SMILESO=C1CC[C@@H](N2CCCc3c(N4CCC(CCO)CC4)cccc32)C(=O)N1
InChIInChI=1S/C21H29N3O3/c25-14-10-15-8-12-23(13-9-15)17-4-1-5-18-16(17)3-2-11-24(18)19-6-7-20(26)22-21(19)27/h1,4-5,15,19,25H,2-3,6-14H2,(H,22,26,27)/t19-/m1/s1
InChIKeyJTGIVKAYOSDPNH-LJQANCHMSA-N
MW371.48 g/mol
LogP1.84
Rot. Bonds4

About (3R)-3-[5-[4-(2-hydroxyethyl)piperidin-1-yl]-3,4-dihydro-2H-quinolin-1-yl]piperidine-2,6-dione

(3R)-3-[5-[4-(2-hydroxyethyl)piperidin-1-yl]-3,4-dihydro-2H-quinolin-1-yl]piperidine-2,6-dione (PubChem CID 170437367) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is (3R)-3-[5-[4-(2-hydroxyethyl)piperidin-1-yl]-3,4-dihydro-2H-quinolin-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name(3R)-3-[5-[4-(2-hydroxyethyl)piperidin-1-yl]-3,4-dihydro-2H-quinolin-1-yl]piperidine-2,6-dione
PubChem CID170437367
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name(3R)-3-[5-[4-(2-hydroxyethyl)piperidin-1-yl]-3,4-dihydro-2H-quinolin-1-yl]piperidine-2,6-dione
SMILESO=C1CC[C@@H](N2CCCc3c(N4CCC(CCO)CC4)cccc32)C(=O)N1
InChIInChI=1S/C21H29N3O3/c25-14-10-15-8-12-23(13-9-15)17-4-1-5-18-16(17)3-2-11-24(18)19-6-7-20(26)22-21(19)27/h1,4-5,15,19,25H,2-3,6-14H2,(H,22,26,27)/t19-/m1/s1
InChIKeyJTGIVKAYOSDPNH-LJQANCHMSA-N
XLogP1.84
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (3R)-3-[5-[4-(2-hydroxyethyl)piperidin-1-yl]-3,4-dihydro-2H-quinolin-1-yl]piperidine-2,6-dione with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 1-[1-(2,6-dioxopiperidin-3-yl)-2,3-dihydroindol-4-yl]piperidine-4-carboxylate
CID 170437347
tert-butyl 3-[1-[1-(2,6-dioxopiperidin-3-yl)-2,3-dihydroindol-4-yl]azetidin-3-yl]propanoate
CID 170625609
3-[4-(4-cyclohexylpiperazin-1-yl)-2,3-dihydroindol-1-yl]piperidine-2,6-dione
CID 170625343
1-(2,5-dioxopyrrolidin-3-yl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 60839788
tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-3,4-dihydro-2H-quinolin-5-yl]oxy]piperidin-1-yl]piperidine-1-carboxylate
CID 170450016
1-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]piperidine-4-carbaldehyde
CID 165136850
2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one
CID 3127917
3-(6-ethyl-3,4-dihydro-2H-quinolin-1-yl)piperidine-2,6-dione
CID 170614731
3-[3-oxo-7-(4-piperidin-4-ylpiperidin-1-yl)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171491722
tert-butyl 2-[4-[1-(2,6-dioxopiperidin-3-yl)-2,3-dihydroindol-4-yl]piperidin-1-yl]acetate
CID 170624626
tert-butyl 2-[4-[1-[(3R)-2,6-dioxopiperidin-3-yl]-2,3-dihydroindol-4-yl]piperidin-1-yl]acetate
CID 170625132
3-[3-oxo-7-(3-piperidin-1-ylazetidin-1-yl)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 174065870

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[5-[4-(2-hydroxyethyl)piperidin-1-yl]-3,4-dihydro-2H-quinolin-1-yl]piperidine-2,6-dione?
The IUPAC name of (3R)-3-[5-[4-(2-hydroxyethyl)piperidin-1-yl]-3,4-dihydro-2H-quinolin-1-yl]piperidine-2,6-dione (CID 170437367) is (3R)-3-[5-[4-(2-hydroxyethyl)piperidin-1-yl]-3,4-dihydro-2H-quinolin-1-yl]piperidine-2,6-dione.
What is the SMILES notation for (3R)-3-[5-[4-(2-hydroxyethyl)piperidin-1-yl]-3,4-dihydro-2H-quinolin-1-yl]piperidine-2,6-dione?
The canonical SMILES for (3R)-3-[5-[4-(2-hydroxyethyl)piperidin-1-yl]-3,4-dihydro-2H-quinolin-1-yl]piperidine-2,6-dione is O=C1CC[C@@H](N2CCCc3c(N4CCC(CCO)CC4)cccc32)C(=O)N1.
What is the InChIKey of (3R)-3-[5-[4-(2-hydroxyethyl)piperidin-1-yl]-3,4-dihydro-2H-quinolin-1-yl]piperidine-2,6-dione?
The InChIKey is JTGIVKAYOSDPNH-LJQANCHMSA-N. The full InChI is InChI=1S/C21H29N3O3/c25-14-10-15-8-12-23(13-9-15)17-4-1-5-18-16(17)3-2-11-24(18)19-6-7-20(26)22-21(19)27/h1,4-5,15,19,25H,2-3,6-14H2,(H,22,26,27)/t19-/m1/s1.
What are the key properties of (3R)-3-[5-[4-(2-hydroxyethyl)piperidin-1-yl]-3,4-dihydro-2H-quinolin-1-yl]piperidine-2,6-dione?
(3R)-3-[5-[4-(2-hydroxyethyl)piperidin-1-yl]-3,4-dihydro-2H-quinolin-1-yl]piperidine-2,6-dione has a molecular weight of 371.48 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[5-[4-(2-hydroxyethyl)piperidin-1-yl]-3,4-dihydro-2H-quinolin-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 170437367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).