tert-butyl 1-[5-[(3R)-2,6-dioxopiperidin-3-yl]-2-pyridinyl]-4-methylpiperidine-4-carboxylate

C21H29N3O4 — CID 172569961

IUPACtert-butyl 1-[5-[(3R)-2,6-dioxopiperidin-3-yl]-2-pyridinyl]-4-methylpiperidine-4-carboxylate
SMILESCC(C)(C)OC(=O)C1(C)CCN(c2ccc([C@H]3CCC(=O)NC3=O)cn2)CC1
InChIInChI=1S/C21H29N3O4/c1-20(2,3)28-19(27)21(4)9-11-24(12-10-21)16-7-5-14(13-22-16)15-6-8-17(25)23-18(15)26/h5,7,13,15H,6,8-12H2,1-4H3,(H,23,25,26)/t15-/m1/s1
InChIKeyJBJKQLKBEVYWNF-OAHLLOKOSA-N
MW387.48 g/mol
LogP2.55
Rot. Bonds3

About tert-butyl 1-[5-[(3R)-2,6-dioxopiperidin-3-yl]-2-pyridinyl]-4-methylpiperidine-4-carboxylate

tert-butyl 1-[5-[(3R)-2,6-dioxopiperidin-3-yl]-2-pyridinyl]-4-methylpiperidine-4-carboxylate (PubChem CID 172569961) has the molecular formula C21H29N3O4 and a molecular weight of 387.48 g/mol. Its IUPAC name is tert-butyl 1-[5-[(3R)-2,6-dioxopiperidin-3-yl]-2-pyridinyl]-4-methylpiperidine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-[5-[(3R)-2,6-dioxopiperidin-3-yl]-2-pyridinyl]-4-methylpiperidine-4-carboxylate
PubChem CID172569961
Molecular FormulaC21H29N3O4
Molecular Weight387.48 g/mol
Exact Mass387.22
IUPAC Nametert-butyl 1-[5-[(3R)-2,6-dioxopiperidin-3-yl]-2-pyridinyl]-4-methylpiperidine-4-carboxylate
SMILESCC(C)(C)OC(=O)C1(C)CCN(c2ccc([C@H]3CCC(=O)NC3=O)cn2)CC1
InChIInChI=1S/C21H29N3O4/c1-20(2,3)28-19(27)21(4)9-11-24(12-10-21)16-7-5-14(13-22-16)15-6-8-17(25)23-18(15)26/h5,7,13,15H,6,8-12H2,1-4H3,(H,23,25,26)/t15-/m1/s1
InChIKeyJBJKQLKBEVYWNF-OAHLLOKOSA-N
XLogP2.55
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl 1-[5-[(3R)-2,6-dioxopiperidin-3-yl]-2-pyridinyl]-4-methylpiperidine-4-carboxylate with MolForge

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Related Compounds

tert-butyl 1-[2-[1-[5-[(3R)-2,6-dioxopiperidin-3-yl]-2-pyridinyl]piperidin-4-yl]acetyl]-4-methylpiperidine-4-carboxylate
CID 172570460
1-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]-4-methylpiperidine-4-carboxylic acid
CID 168882542
tert-butyl 4-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperazine-1-carboxylate
CID 166113298
1-[1-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperidine-4-carbonyl]-4-methylpiperidine-4-carboxylic acid
CID 168882533
3-[6-(azetidin-1-yl)-3-pyridinyl]piperidine-2,6-dione
CID 166113376
3-[6-(2-oxo-7-azaspiro[3.5]nonan-7-yl)-3-pyridinyl]piperidine-2,6-dione
CID 167474963
3-(6-piperazin-1-yl-3-pyridinyl)piperidine-2,6-dione
CID 166116993
tert-butyl 4-[[4-[5-[(3R)-2,6-dioxopiperidin-3-yl]-2-pyridinyl]-1,4-diazepan-1-yl]methyl]piperidine-1-carboxylate
CID 171774165
3-[6-[4-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione
CID 166112962
N-[1-[5-[(3S)-2,6-dioxopiperidin-3-yl]-2-pyridinyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide
CID 174216532
3-[6-(2,7-diazaspiro[3.4]octan-2-yl)-3-pyridinyl]piperidine-2,6-dione
CID 166113430
3-[6-[4-[[cyclohexyl(methyl)amino]methyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione
CID 167474741

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-[5-[(3R)-2,6-dioxopiperidin-3-yl]-2-pyridinyl]-4-methylpiperidine-4-carboxylate?
The IUPAC name of tert-butyl 1-[5-[(3R)-2,6-dioxopiperidin-3-yl]-2-pyridinyl]-4-methylpiperidine-4-carboxylate (CID 172569961) is tert-butyl 1-[5-[(3R)-2,6-dioxopiperidin-3-yl]-2-pyridinyl]-4-methylpiperidine-4-carboxylate.
What is the SMILES notation for tert-butyl 1-[5-[(3R)-2,6-dioxopiperidin-3-yl]-2-pyridinyl]-4-methylpiperidine-4-carboxylate?
The canonical SMILES for tert-butyl 1-[5-[(3R)-2,6-dioxopiperidin-3-yl]-2-pyridinyl]-4-methylpiperidine-4-carboxylate is CC(C)(C)OC(=O)C1(C)CCN(c2ccc([C@H]3CCC(=O)NC3=O)cn2)CC1.
What is the InChIKey of tert-butyl 1-[5-[(3R)-2,6-dioxopiperidin-3-yl]-2-pyridinyl]-4-methylpiperidine-4-carboxylate?
The InChIKey is JBJKQLKBEVYWNF-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H29N3O4/c1-20(2,3)28-19(27)21(4)9-11-24(12-10-21)16-7-5-14(13-22-16)15-6-8-17(25)23-18(15)26/h5,7,13,15H,6,8-12H2,1-4H3,(H,23,25,26)/t15-/m1/s1.
What are the key properties of tert-butyl 1-[5-[(3R)-2,6-dioxopiperidin-3-yl]-2-pyridinyl]-4-methylpiperidine-4-carboxylate?
tert-butyl 1-[5-[(3R)-2,6-dioxopiperidin-3-yl]-2-pyridinyl]-4-methylpiperidine-4-carboxylate has a molecular weight of 387.48 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-[5-[(3R)-2,6-dioxopiperidin-3-yl]-2-pyridinyl]-4-methylpiperidine-4-carboxylate is sourced from PubChem (CID 172569961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).