tert-butyl 4-[2-[[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]ethylamino]piperidine-1-carboxylate

C19H37N3O4 — CID 69227460

IUPACtert-butyl 4-[2-[[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]ethylamino]piperidine-1-carboxylate
SMILESCC(NCCNC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)OC(C)(C)C
InChIInChI=1S/C19H37N3O4/c1-14(16(23)25-18(2,3)4)20-10-11-21-15-8-12-22(13-9-15)17(24)26-19(5,6)7/h14-15,20-21H,8-13H2,1-7H3
InChIKeyFQDZHNFWLCXWBE-UHFFFAOYSA-N
MW371.52 g/mol
LogP2.30
Rot. Bonds6

About tert-butyl 4-[2-[[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]ethylamino]piperidine-1-carboxylate

tert-butyl 4-[2-[[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]ethylamino]piperidine-1-carboxylate (PubChem CID 69227460) has the molecular formula C19H37N3O4 and a molecular weight of 371.52 g/mol. Its IUPAC name is tert-butyl 4-[2-[[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]ethylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-[[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]ethylamino]piperidine-1-carboxylate
PubChem CID69227460
Molecular FormulaC19H37N3O4
Molecular Weight371.52 g/mol
Exact Mass371.28
IUPAC Nametert-butyl 4-[2-[[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]ethylamino]piperidine-1-carboxylate
SMILESCC(NCCNC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)OC(C)(C)C
InChIInChI=1S/C19H37N3O4/c1-14(16(23)25-18(2,3)4)20-10-11-21-15-8-12-22(13-9-15)17(24)26-19(5,6)7/h14-15,20-21H,8-13H2,1-7H3
InChIKeyFQDZHNFWLCXWBE-UHFFFAOYSA-N
XLogP2.30
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.52
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]ethylamino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-[[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]ethylamino]piperidine-1-carboxylate (CID 69227460) is tert-butyl 4-[2-[[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]ethylamino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-[[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]ethylamino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-[[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]ethylamino]piperidine-1-carboxylate is CC(NCCNC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-[2-[[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]ethylamino]piperidine-1-carboxylate?
The InChIKey is FQDZHNFWLCXWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3O4/c1-14(16(23)25-18(2,3)4)20-10-11-21-15-8-12-22(13-9-15)17(24)26-19(5,6)7/h14-15,20-21H,8-13H2,1-7H3.
What are the key properties of tert-butyl 4-[2-[[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]ethylamino]piperidine-1-carboxylate?
tert-butyl 4-[2-[[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]ethylamino]piperidine-1-carboxylate has a molecular weight of 371.52 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-[[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]ethylamino]piperidine-1-carboxylate is sourced from PubChem (CID 69227460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).