ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-propoxypiperidine-1-carboxylate

C16H30N2O5 — CID 58074903

IUPACethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-propoxypiperidine-1-carboxylate
SMILESCCCOC1CN(C(=O)OCC)CCC1NC(=O)OC(C)(C)C
InChIInChI=1S/C16H30N2O5/c1-6-10-22-13-11-18(15(20)21-7-2)9-8-12(13)17-14(19)23-16(3,4)5/h12-13H,6-11H2,1-5H3,(H,17,19)
InChIKeyJTBYVTDHIUVTKI-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.54
Rot. Bonds5

About ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-propoxypiperidine-1-carboxylate

ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-propoxypiperidine-1-carboxylate (PubChem CID 58074903) has the molecular formula C16H30N2O5 and a molecular weight of 330.43 g/mol. Its IUPAC name is ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-propoxypiperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-propoxypiperidine-1-carboxylate
PubChem CID58074903
Molecular FormulaC16H30N2O5
Molecular Weight330.43 g/mol
Exact Mass330.22
IUPAC Nameethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-propoxypiperidine-1-carboxylate
SMILESCCCOC1CN(C(=O)OCC)CCC1NC(=O)OC(C)(C)C
InChIInChI=1S/C16H30N2O5/c1-6-10-22-13-11-18(15(20)21-7-2)9-8-12(13)17-14(19)23-16(3,4)5/h12-13H,6-11H2,1-5H3,(H,17,19)
InChIKeyJTBYVTDHIUVTKI-UHFFFAOYSA-N
XLogP2.54
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-propoxypiperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-propoxypiperidine-1-carboxylate (CID 58074903) is ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-propoxypiperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-propoxypiperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-propoxypiperidine-1-carboxylate is CCCOC1CN(C(=O)OCC)CCC1NC(=O)OC(C)(C)C.
What is the InChIKey of ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-propoxypiperidine-1-carboxylate?
The InChIKey is JTBYVTDHIUVTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O5/c1-6-10-22-13-11-18(15(20)21-7-2)9-8-12(13)17-14(19)23-16(3,4)5/h12-13H,6-11H2,1-5H3,(H,17,19).
What are the key properties of ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-propoxypiperidine-1-carboxylate?
ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-propoxypiperidine-1-carboxylate has a molecular weight of 330.43 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-propoxypiperidine-1-carboxylate is sourced from PubChem (CID 58074903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).