tert-butyl N-[1-(2-chloroacetyl)piperidin-4-yl]-N-ethylcarbamate

C14H25ClN2O3 — CID 66566153

IUPACtert-butyl N-[1-(2-chloroacetyl)piperidin-4-yl]-N-ethylcarbamate
SMILESCCN(C(=O)OC(C)(C)C)C1CCN(C(=O)CCl)CC1
InChIInChI=1S/C14H25ClN2O3/c1-5-17(13(19)20-14(2,3)4)11-6-8-16(9-7-11)12(18)10-15/h11H,5-10H2,1-4H3
InChIKeyVEPOIQWAGYGXHA-UHFFFAOYSA-N
MW304.82 g/mol
LogP2.47
Rot. Bonds3

About tert-butyl N-[1-(2-chloroacetyl)piperidin-4-yl]-N-ethylcarbamate

tert-butyl N-[1-(2-chloroacetyl)piperidin-4-yl]-N-ethylcarbamate (PubChem CID 66566153) has the molecular formula C14H25ClN2O3 and a molecular weight of 304.82 g/mol. Its IUPAC name is tert-butyl N-[1-(2-chloroacetyl)piperidin-4-yl]-N-ethylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(2-chloroacetyl)piperidin-4-yl]-N-ethylcarbamate
PubChem CID66566153
Molecular FormulaC14H25ClN2O3
Molecular Weight304.82 g/mol
Exact Mass304.16
IUPAC Nametert-butyl N-[1-(2-chloroacetyl)piperidin-4-yl]-N-ethylcarbamate
SMILESCCN(C(=O)OC(C)(C)C)C1CCN(C(=O)CCl)CC1
InChIInChI=1S/C14H25ClN2O3/c1-5-17(13(19)20-14(2,3)4)11-6-8-16(9-7-11)12(18)10-15/h11H,5-10H2,1-4H3
InChIKeyVEPOIQWAGYGXHA-UHFFFAOYSA-N
XLogP2.47
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(2-chloroacetyl)piperidin-4-yl]-N-ethylcarbamate?
The IUPAC name of tert-butyl N-[1-(2-chloroacetyl)piperidin-4-yl]-N-ethylcarbamate (CID 66566153) is tert-butyl N-[1-(2-chloroacetyl)piperidin-4-yl]-N-ethylcarbamate.
What is the SMILES notation for tert-butyl N-[1-(2-chloroacetyl)piperidin-4-yl]-N-ethylcarbamate?
The canonical SMILES for tert-butyl N-[1-(2-chloroacetyl)piperidin-4-yl]-N-ethylcarbamate is CCN(C(=O)OC(C)(C)C)C1CCN(C(=O)CCl)CC1.
What is the InChIKey of tert-butyl N-[1-(2-chloroacetyl)piperidin-4-yl]-N-ethylcarbamate?
The InChIKey is VEPOIQWAGYGXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25ClN2O3/c1-5-17(13(19)20-14(2,3)4)11-6-8-16(9-7-11)12(18)10-15/h11H,5-10H2,1-4H3.
What are the key properties of tert-butyl N-[1-(2-chloroacetyl)piperidin-4-yl]-N-ethylcarbamate?
tert-butyl N-[1-(2-chloroacetyl)piperidin-4-yl]-N-ethylcarbamate has a molecular weight of 304.82 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(2-chloroacetyl)piperidin-4-yl]-N-ethylcarbamate is sourced from PubChem (CID 66566153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).