tert-butyl 4-(2-methoxy-2-oxoethyl)-2-propan-2-ylpiperidine-1-carboxylate

C16H29NO4 — CID 59154212

IUPACtert-butyl 4-(2-methoxy-2-oxoethyl)-2-propan-2-ylpiperidine-1-carboxylate
SMILESCOC(=O)CC1CCN(C(=O)OC(C)(C)C)C(C(C)C)C1
InChIInChI=1S/C16H29NO4/c1-11(2)13-9-12(10-14(18)20-6)7-8-17(13)15(19)21-16(3,4)5/h11-13H,7-10H2,1-6H3
InChIKeyWPUCMKMSHRLPCO-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.22
Rot. Bonds3

About tert-butyl 4-(2-methoxy-2-oxoethyl)-2-propan-2-ylpiperidine-1-carboxylate

tert-butyl 4-(2-methoxy-2-oxoethyl)-2-propan-2-ylpiperidine-1-carboxylate (PubChem CID 59154212) has the molecular formula C16H29NO4 and a molecular weight of 299.41 g/mol. Its IUPAC name is tert-butyl 4-(2-methoxy-2-oxoethyl)-2-propan-2-ylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-methoxy-2-oxoethyl)-2-propan-2-ylpiperidine-1-carboxylate
PubChem CID59154212
Molecular FormulaC16H29NO4
Molecular Weight299.41 g/mol
Exact Mass299.21
IUPAC Nametert-butyl 4-(2-methoxy-2-oxoethyl)-2-propan-2-ylpiperidine-1-carboxylate
SMILESCOC(=O)CC1CCN(C(=O)OC(C)(C)C)C(C(C)C)C1
InChIInChI=1S/C16H29NO4/c1-11(2)13-9-12(10-14(18)20-6)7-8-17(13)15(19)21-16(3,4)5/h11-13H,7-10H2,1-6H3
InChIKeyWPUCMKMSHRLPCO-UHFFFAOYSA-N
XLogP3.22
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-methoxy-2-oxoethyl)-2-propan-2-ylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-methoxy-2-oxoethyl)-2-propan-2-ylpiperidine-1-carboxylate (CID 59154212) is tert-butyl 4-(2-methoxy-2-oxoethyl)-2-propan-2-ylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-methoxy-2-oxoethyl)-2-propan-2-ylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-methoxy-2-oxoethyl)-2-propan-2-ylpiperidine-1-carboxylate is COC(=O)CC1CCN(C(=O)OC(C)(C)C)C(C(C)C)C1.
What is the InChIKey of tert-butyl 4-(2-methoxy-2-oxoethyl)-2-propan-2-ylpiperidine-1-carboxylate?
The InChIKey is WPUCMKMSHRLPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO4/c1-11(2)13-9-12(10-14(18)20-6)7-8-17(13)15(19)21-16(3,4)5/h11-13H,7-10H2,1-6H3.
What are the key properties of tert-butyl 4-(2-methoxy-2-oxoethyl)-2-propan-2-ylpiperidine-1-carboxylate?
tert-butyl 4-(2-methoxy-2-oxoethyl)-2-propan-2-ylpiperidine-1-carboxylate has a molecular weight of 299.41 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-methoxy-2-oxoethyl)-2-propan-2-ylpiperidine-1-carboxylate is sourced from PubChem (CID 59154212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).