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

C19H26N4O4 — CID 166113298

IUPACtert-butyl 4-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2ccc(C3CCC(=O)NC3=O)cn2)CC1
InChIInChI=1S/C19H26N4O4/c1-19(2,3)27-18(26)23-10-8-22(9-11-23)15-6-4-13(12-20-15)14-5-7-16(24)21-17(14)25/h4,6,12,14H,5,7-11H2,1-3H3,(H,21,24,25)
InChIKeyUPEHZSAUMXGHSJ-UHFFFAOYSA-N
MW374.44 g/mol
LogP1.66
Rot. Bonds2

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

tert-butyl 4-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperazine-1-carboxylate (PubChem CID 166113298) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is tert-butyl 4-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperazine-1-carboxylate
PubChem CID166113298
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Nametert-butyl 4-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2ccc(C3CCC(=O)NC3=O)cn2)CC1
InChIInChI=1S/C19H26N4O4/c1-19(2,3)27-18(26)23-10-8-22(9-11-23)15-6-4-13(12-20-15)14-5-7-16(24)21-17(14)25/h4,6,12,14H,5,7-11H2,1-3H3,(H,21,24,25)
InChIKeyUPEHZSAUMXGHSJ-UHFFFAOYSA-N
XLogP1.66
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-[[4-[5-[(3R)-2,6-dioxopiperidin-3-yl]-2-pyridinyl]-1,4-diazepan-1-yl]methyl]piperidine-1-carboxylate
CID 171774165
tert-butyl 1-[5-[(3R)-2,6-dioxopiperidin-3-yl]-2-pyridinyl]-4-methylpiperidine-4-carboxylate
CID 172569961
tert-butyl 4-[5-[(2,6-dioxopiperidin-3-yl)amino]-2-pyridinyl]piperazine-1-carboxylate
CID 146523656
tert-butyl 4-[4-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]-1,4-diazepane-1-carboxylate
CID 167190323
3-[6-(azetidin-1-yl)-3-pyridinyl]piperidine-2,6-dione
CID 166113376
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
3-(6-piperazin-1-yl-3-pyridinyl)piperidine-2,6-dione
CID 166116993
3-[6-[4-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione
CID 166112962
tert-butyl 4-[1-[4-(2,6-dioxopiperidin-3-yl)phenyl]-3-methylazetidin-3-yl]piperazine-1-carboxylate
CID 177364649
tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-4-methylphenyl]piperazine-1-carboxylate
CID 170979417
1-[1-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperidine-4-carbonyl]-4-methylpiperidine-4-carboxylic acid
CID 168882533

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperazine-1-carboxylate (CID 166113298) is tert-butyl 4-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(c2ccc(C3CCC(=O)NC3=O)cn2)CC1.
What is the InChIKey of tert-butyl 4-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperazine-1-carboxylate?
The InChIKey is UPEHZSAUMXGHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-19(2,3)27-18(26)23-10-8-22(9-11-23)15-6-4-13(12-20-15)14-5-7-16(24)21-17(14)25/h4,6,12,14H,5,7-11H2,1-3H3,(H,21,24,25).
What are the key properties of tert-butyl 4-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperazine-1-carboxylate?
tert-butyl 4-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperazine-1-carboxylate has a molecular weight of 374.44 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperazine-1-carboxylate is sourced from PubChem (CID 166113298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).