tert-butyl N-[2-[(4-ethoxypiperidine-1-carbonyl)amino]ethyl]-N-methylcarbamate

C16H31N3O4 — CID 56826179

IUPACtert-butyl N-[2-[(4-ethoxypiperidine-1-carbonyl)amino]ethyl]-N-methylcarbamate
SMILESCCOC1CCN(C(=O)NCCN(C)C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H31N3O4/c1-6-22-13-7-10-19(11-8-13)14(20)17-9-12-18(5)15(21)23-16(2,3)4/h13H,6-12H2,1-5H3,(H,17,20)
InChIKeyDCFXGQRNGOSCJI-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.06
Rot. Bonds5

About tert-butyl N-[2-[(4-ethoxypiperidine-1-carbonyl)amino]ethyl]-N-methylcarbamate

tert-butyl N-[2-[(4-ethoxypiperidine-1-carbonyl)amino]ethyl]-N-methylcarbamate (PubChem CID 56826179) has the molecular formula C16H31N3O4 and a molecular weight of 329.44 g/mol. Its IUPAC name is tert-butyl N-[2-[(4-ethoxypiperidine-1-carbonyl)amino]ethyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(4-ethoxypiperidine-1-carbonyl)amino]ethyl]-N-methylcarbamate
PubChem CID56826179
Molecular FormulaC16H31N3O4
Molecular Weight329.44 g/mol
Exact Mass329.23
IUPAC Nametert-butyl N-[2-[(4-ethoxypiperidine-1-carbonyl)amino]ethyl]-N-methylcarbamate
SMILESCCOC1CCN(C(=O)NCCN(C)C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H31N3O4/c1-6-22-13-7-10-19(11-8-13)14(20)17-9-12-18(5)15(21)23-16(2,3)4/h13H,6-12H2,1-5H3,(H,17,20)
InChIKeyDCFXGQRNGOSCJI-UHFFFAOYSA-N
XLogP2.06
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(4-ethoxypiperidine-1-carbonyl)amino]ethyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2-[(4-ethoxypiperidine-1-carbonyl)amino]ethyl]-N-methylcarbamate (CID 56826179) is tert-butyl N-[2-[(4-ethoxypiperidine-1-carbonyl)amino]ethyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2-[(4-ethoxypiperidine-1-carbonyl)amino]ethyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2-[(4-ethoxypiperidine-1-carbonyl)amino]ethyl]-N-methylcarbamate is CCOC1CCN(C(=O)NCCN(C)C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[2-[(4-ethoxypiperidine-1-carbonyl)amino]ethyl]-N-methylcarbamate?
The InChIKey is DCFXGQRNGOSCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O4/c1-6-22-13-7-10-19(11-8-13)14(20)17-9-12-18(5)15(21)23-16(2,3)4/h13H,6-12H2,1-5H3,(H,17,20).
What are the key properties of tert-butyl N-[2-[(4-ethoxypiperidine-1-carbonyl)amino]ethyl]-N-methylcarbamate?
tert-butyl N-[2-[(4-ethoxypiperidine-1-carbonyl)amino]ethyl]-N-methylcarbamate has a molecular weight of 329.44 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(4-ethoxypiperidine-1-carbonyl)amino]ethyl]-N-methylcarbamate is sourced from PubChem (CID 56826179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).