tert-butyl 4-(2-acetamidoethylamino)piperidine-1-carboxylate

C14H27N3O3 — CID 43652168

IUPACtert-butyl 4-(2-acetamidoethylamino)piperidine-1-carboxylate
SMILESCC(=O)NCCNC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H27N3O3/c1-11(18)15-7-8-16-12-5-9-17(10-6-12)13(19)20-14(2,3)4/h12,16H,5-10H2,1-4H3,(H,15,18)
InChIKeyAMMAPYZFASFSSA-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.11
Rot. Bonds4

About tert-butyl 4-(2-acetamidoethylamino)piperidine-1-carboxylate

tert-butyl 4-(2-acetamidoethylamino)piperidine-1-carboxylate (PubChem CID 43652168) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is tert-butyl 4-(2-acetamidoethylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-acetamidoethylamino)piperidine-1-carboxylate
PubChem CID43652168
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Nametert-butyl 4-(2-acetamidoethylamino)piperidine-1-carboxylate
SMILESCC(=O)NCCNC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H27N3O3/c1-11(18)15-7-8-16-12-5-9-17(10-6-12)13(19)20-14(2,3)4/h12,16H,5-10H2,1-4H3,(H,15,18)
InChIKeyAMMAPYZFASFSSA-UHFFFAOYSA-N
XLogP1.11
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 3-(2-acetamidoethylamino)azetidine-1-carboxylate
CID 63302878
ethyl 4-(2-acetamidoethylamino)piperidine-1-carboxylate
CID 43226799
tert-butyl 4-[(3-iodo-3-oxopropyl)amino]piperidine-1-carboxylate
CID 89193788
tert-butyl 4-(2-morpholin-4-ylethylamino)piperidine-1-carboxylate
CID 103618127
tert-butyl 4-(4-methylpentylamino)piperidine-1-carboxylate
CID 61044256
tert-butyl 4-(prop-2-ynylamino)piperidine-1-carboxylate
CID 43652133
3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azepan-4-yl]amino]propanoic acid
CID 103980886
tert-butyl 4-[2-[2-(dimethylamino)ethoxy]ethylamino]piperidine-1-carboxylate
CID 103952748
tert-butyl 4-(4-hydroxypentylamino)piperidine-1-carboxylate
CID 107267903
tert-butyl 4-(2,2,2-trifluoroethylamino)piperidine-1-carboxylate;hydrochloride
CID 56965527
tert-butyl 4-[2-(ethylsulfamoyl)ethylamino]piperidine-1-carboxylate
CID 103729666
tert-butyl 4-[2-(dimethylsulfamoyl)ethylamino]azepane-1-carboxylate
CID 106336109

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-acetamidoethylamino)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-acetamidoethylamino)piperidine-1-carboxylate (CID 43652168) is tert-butyl 4-(2-acetamidoethylamino)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-acetamidoethylamino)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-acetamidoethylamino)piperidine-1-carboxylate is CC(=O)NCCNC1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(2-acetamidoethylamino)piperidine-1-carboxylate?
The InChIKey is AMMAPYZFASFSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-11(18)15-7-8-16-12-5-9-17(10-6-12)13(19)20-14(2,3)4/h12,16H,5-10H2,1-4H3,(H,15,18).
What are the key properties of tert-butyl 4-(2-acetamidoethylamino)piperidine-1-carboxylate?
tert-butyl 4-(2-acetamidoethylamino)piperidine-1-carboxylate has a molecular weight of 285.39 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-acetamidoethylamino)piperidine-1-carboxylate is sourced from PubChem (CID 43652168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).