tert-butyl 4-[1-(1,2,3,4-tetrahydroquinolin-5-yl)piperidin-4-yl]oxypiperidine-1-carboxylate;piperidine-2,6-dione

C29H44N4O5 — CID 170614792

IUPACtert-butyl 4-[1-(1,2,3,4-tetrahydroquinolin-5-yl)piperidin-4-yl]oxypiperidine-1-carboxylate;piperidine-2,6-dione
SMILESCC(C)(C)OC(=O)N1CCC(OC2CCN(c3cccc4c3CCCN4)CC2)CC1.O=C1CCCC(=O)N1
InChIInChI=1S/C24H37N3O3.C5H7NO2/c1-24(2,3)30-23(28)27-16-11-19(12-17-27)29-18-9-14-26(15-10-18)22-8-4-7-21-20(22)6-5-13-25-21;7-4-2-1-3-5(8)6-4/h4,7-8,18-19,25H,5-6,9-17H2,1-3H3;1-3H2,(H,6,7,8)
InChIKeyNYGAXHURWAEVKY-UHFFFAOYSA-N
MW528.69 g/mol
LogP4.24
Rot. Bonds3

About tert-butyl 4-[1-(1,2,3,4-tetrahydroquinolin-5-yl)piperidin-4-yl]oxypiperidine-1-carboxylate;piperidine-2,6-dione

tert-butyl 4-[1-(1,2,3,4-tetrahydroquinolin-5-yl)piperidin-4-yl]oxypiperidine-1-carboxylate;piperidine-2,6-dione (PubChem CID 170614792) has the molecular formula C29H44N4O5 and a molecular weight of 528.69 g/mol. Its IUPAC name is tert-butyl 4-[1-(1,2,3,4-tetrahydroquinolin-5-yl)piperidin-4-yl]oxypiperidine-1-carboxylate;piperidine-2,6-dione.

Molecular Properties

Compound Nametert-butyl 4-[1-(1,2,3,4-tetrahydroquinolin-5-yl)piperidin-4-yl]oxypiperidine-1-carboxylate;piperidine-2,6-dione
PubChem CID170614792
Molecular FormulaC29H44N4O5
Molecular Weight528.69 g/mol
Exact Mass528.33
IUPAC Nametert-butyl 4-[1-(1,2,3,4-tetrahydroquinolin-5-yl)piperidin-4-yl]oxypiperidine-1-carboxylate;piperidine-2,6-dione
SMILESCC(C)(C)OC(=O)N1CCC(OC2CCN(c3cccc4c3CCCN4)CC2)CC1.O=C1CCCC(=O)N1
InChIInChI=1S/C24H37N3O3.C5H7NO2/c1-24(2,3)30-23(28)27-16-11-19(12-17-27)29-18-9-14-26(15-10-18)22-8-4-7-21-20(22)6-5-13-25-21;7-4-2-1-3-5(8)6-4/h4,7-8,18-19,25H,5-6,9-17H2,1-3H3;1-3H2,(H,6,7,8)
InChIKeyNYGAXHURWAEVKY-UHFFFAOYSA-N
XLogP4.24
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.69
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze tert-butyl 4-[1-(1,2,3,4-tetrahydroquinolin-5-yl)piperidin-4-yl]oxypiperidine-1-carboxylate;piperidine-2,6-dione with MolForge

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Related Compounds

tert-butyl 4-(3,3-difluoro-4-methylpiperidin-1-yl)piperidine-1-carboxylate;4-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-indole
CID 176558257
5-(4,4-dimethylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline
CID 81214740
tert-butyl 4-(1-methyl-3,4-dihydro-2H-quinolin-5-yl)piperazine-1-carboxylate
CID 69420021
1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;pyrrolidine-2,5-dione
CID 67620494
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
tert-butyl 4-(2-oxo-1,3-dihydroindol-4-yl)piperidine-1-carboxylate
CID 166132108
5-(4-propan-2-ylazepan-1-yl)-1,2,3,4-tetrahydroquinoline
CID 81215404
tert-butyl 4-(5-fluoro-1,2,3,4-tetrahydroquinolin-8-yl)piperidine-1-carboxylate
CID 130367085
3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-4-pyrrolidin-1-yl-1,3-dihydroindol-2-yl]pyridine-4-carboxylic acid
CID 91467963
tert-butyl 2-[4-(2,3-dihydro-1H-indol-4-yl)piperazin-1-yl]acetate
CID 170625428
tert-butyl 4-(1,2,3,4-tetrahydroisoquinolin-8-yl)piperazine-1-carboxylate
CID 21070954
tert-butyl (4aS)-6-oxo-1,2,4,4a,5,7-hexahydropyrazino[1,2-a][1,5]benzodiazepine-3-carboxylate
CID 67247695

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[1-(1,2,3,4-tetrahydroquinolin-5-yl)piperidin-4-yl]oxypiperidine-1-carboxylate;piperidine-2,6-dione?
The IUPAC name of tert-butyl 4-[1-(1,2,3,4-tetrahydroquinolin-5-yl)piperidin-4-yl]oxypiperidine-1-carboxylate;piperidine-2,6-dione (CID 170614792) is tert-butyl 4-[1-(1,2,3,4-tetrahydroquinolin-5-yl)piperidin-4-yl]oxypiperidine-1-carboxylate;piperidine-2,6-dione.
What is the SMILES notation for tert-butyl 4-[1-(1,2,3,4-tetrahydroquinolin-5-yl)piperidin-4-yl]oxypiperidine-1-carboxylate;piperidine-2,6-dione?
The canonical SMILES for tert-butyl 4-[1-(1,2,3,4-tetrahydroquinolin-5-yl)piperidin-4-yl]oxypiperidine-1-carboxylate;piperidine-2,6-dione is CC(C)(C)OC(=O)N1CCC(OC2CCN(c3cccc4c3CCCN4)CC2)CC1.O=C1CCCC(=O)N1.
What is the InChIKey of tert-butyl 4-[1-(1,2,3,4-tetrahydroquinolin-5-yl)piperidin-4-yl]oxypiperidine-1-carboxylate;piperidine-2,6-dione?
The InChIKey is NYGAXHURWAEVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O3.C5H7NO2/c1-24(2,3)30-23(28)27-16-11-19(12-17-27)29-18-9-14-26(15-10-18)22-8-4-7-21-20(22)6-5-13-25-21;7-4-2-1-3-5(8)6-4/h4,7-8,18-19,25H,5-6,9-17H2,1-3H3;1-3H2,(H,6,7,8).
What are the key properties of tert-butyl 4-[1-(1,2,3,4-tetrahydroquinolin-5-yl)piperidin-4-yl]oxypiperidine-1-carboxylate;piperidine-2,6-dione?
tert-butyl 4-[1-(1,2,3,4-tetrahydroquinolin-5-yl)piperidin-4-yl]oxypiperidine-1-carboxylate;piperidine-2,6-dione has a molecular weight of 528.69 g/mol, XLogP of 4.24, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[1-(1,2,3,4-tetrahydroquinolin-5-yl)piperidin-4-yl]oxypiperidine-1-carboxylate;piperidine-2,6-dione is sourced from PubChem (CID 170614792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).