tert-butyl 2-[2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]propyl]piperidine-1-carboxylate

C18H31N3O4 — CID 113248704

IUPACtert-butyl 2-[2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]propyl]piperidine-1-carboxylate
SMILESCC(CC1CCCCN1C(=O)OC(C)(C)C)NC1CC(=O)N(C)C1=O
InChIInChI=1S/C18H31N3O4/c1-12(19-14-11-15(22)20(5)16(14)23)10-13-8-6-7-9-21(13)17(24)25-18(2,3)4/h12-14,19H,6-11H2,1-5H3
InChIKeyMTTILIIFIRYTKH-UHFFFAOYSA-N
MW353.46 g/mol
LogP1.90
Rot. Bonds4

About tert-butyl 2-[2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]propyl]piperidine-1-carboxylate

tert-butyl 2-[2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]propyl]piperidine-1-carboxylate (PubChem CID 113248704) has the molecular formula C18H31N3O4 and a molecular weight of 353.46 g/mol. Its IUPAC name is tert-butyl 2-[2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]propyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]propyl]piperidine-1-carboxylate
PubChem CID113248704
Molecular FormulaC18H31N3O4
Molecular Weight353.46 g/mol
Exact Mass353.23
IUPAC Nametert-butyl 2-[2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]propyl]piperidine-1-carboxylate
SMILESCC(CC1CCCCN1C(=O)OC(C)(C)C)NC1CC(=O)N(C)C1=O
InChIInChI=1S/C18H31N3O4/c1-12(19-14-11-15(22)20(5)16(14)23)10-13-8-6-7-9-21(13)17(24)25-18(2,3)4/h12-14,19H,6-11H2,1-5H3
InChIKeyMTTILIIFIRYTKH-UHFFFAOYSA-N
XLogP1.90
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-[2-(hydroxyamino)propyl]piperidine-1-carboxylate
CID 82687309
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CID 106182504
tert-butyl 2-[2-[1-(dimethylamino)propan-2-ylamino]propyl]piperidine-1-carboxylate
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tert-butyl 2-[2-(but-3-yn-2-ylamino)propyl]piperidine-1-carboxylate
CID 114415063
tert-butyl 2-[2-(3-methylbutan-2-ylamino)propyl]piperidine-1-carboxylate
CID 103723941
tert-butyl 2-[2-(thiolan-3-ylamino)propyl]piperidine-1-carboxylate
CID 103062610
tert-butyl 2-(2-aminopropyl)piperidine-1-carboxylate
CID 79549369
tert-butyl 2-[2-[(1-methylpiperidin-3-yl)amino]propyl]pyrrolidine-1-carboxylate
CID 103723649
tert-butyl 2-[2-(cyclohex-3-en-1-ylamino)propyl]piperidine-1-carboxylate
CID 103724014
tert-butyl 2-[2-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]propyl]piperidine-1-carboxylate
CID 103723958
tert-butyl 2-[2-(2,2,2-trifluoroethylamino)propyl]piperidine-1-carboxylate
CID 103723920
tert-butyl 2-[2-[(2,2-dimethylcyclopentyl)amino]propyl]pyrrolidine-1-carboxylate
CID 103738424

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]propyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]propyl]piperidine-1-carboxylate (CID 113248704) is tert-butyl 2-[2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]propyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]propyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]propyl]piperidine-1-carboxylate is CC(CC1CCCCN1C(=O)OC(C)(C)C)NC1CC(=O)N(C)C1=O.
What is the InChIKey of tert-butyl 2-[2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]propyl]piperidine-1-carboxylate?
The InChIKey is MTTILIIFIRYTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O4/c1-12(19-14-11-15(22)20(5)16(14)23)10-13-8-6-7-9-21(13)17(24)25-18(2,3)4/h12-14,19H,6-11H2,1-5H3.
What are the key properties of tert-butyl 2-[2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]propyl]piperidine-1-carboxylate?
tert-butyl 2-[2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]propyl]piperidine-1-carboxylate has a molecular weight of 353.46 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]propyl]piperidine-1-carboxylate is sourced from PubChem (CID 113248704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).