tert-butyl 4-(2-acetamido-3-methoxy-3-oxopropyl)piperidine-1-carboxylate

C16H28N2O5 — CID 156644326

IUPACtert-butyl 4-(2-acetamido-3-methoxy-3-oxopropyl)piperidine-1-carboxylate
SMILESCOC(=O)C(CC1CCN(C(=O)OC(C)(C)C)CC1)NC(C)=O
InChIInChI=1S/C16H28N2O5/c1-11(19)17-13(14(20)22-5)10-12-6-8-18(9-7-12)15(21)23-16(2,3)4/h12-13H,6-10H2,1-5H3,(H,17,19)
InChIKeyYKGSJQUXALOREV-UHFFFAOYSA-N
MW328.41 g/mol
LogP1.70
Rot. Bonds4

About tert-butyl 4-(2-acetamido-3-methoxy-3-oxopropyl)piperidine-1-carboxylate

tert-butyl 4-(2-acetamido-3-methoxy-3-oxopropyl)piperidine-1-carboxylate (PubChem CID 156644326) has the molecular formula C16H28N2O5 and a molecular weight of 328.41 g/mol. Its IUPAC name is tert-butyl 4-(2-acetamido-3-methoxy-3-oxopropyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-acetamido-3-methoxy-3-oxopropyl)piperidine-1-carboxylate
PubChem CID156644326
Molecular FormulaC16H28N2O5
Molecular Weight328.41 g/mol
Exact Mass328.20
IUPAC Nametert-butyl 4-(2-acetamido-3-methoxy-3-oxopropyl)piperidine-1-carboxylate
SMILESCOC(=O)C(CC1CCN(C(=O)OC(C)(C)C)CC1)NC(C)=O
InChIInChI=1S/C16H28N2O5/c1-11(19)17-13(14(20)22-5)10-12-6-8-18(9-7-12)15(21)23-16(2,3)4/h12-13H,6-10H2,1-5H3,(H,17,19)
InChIKeyYKGSJQUXALOREV-UHFFFAOYSA-N
XLogP1.70
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-acetamido-3-methoxy-3-oxopropyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-acetamido-3-methoxy-3-oxopropyl)piperidine-1-carboxylate (CID 156644326) is tert-butyl 4-(2-acetamido-3-methoxy-3-oxopropyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-acetamido-3-methoxy-3-oxopropyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-acetamido-3-methoxy-3-oxopropyl)piperidine-1-carboxylate is COC(=O)C(CC1CCN(C(=O)OC(C)(C)C)CC1)NC(C)=O.
What is the InChIKey of tert-butyl 4-(2-acetamido-3-methoxy-3-oxopropyl)piperidine-1-carboxylate?
The InChIKey is YKGSJQUXALOREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O5/c1-11(19)17-13(14(20)22-5)10-12-6-8-18(9-7-12)15(21)23-16(2,3)4/h12-13H,6-10H2,1-5H3,(H,17,19).
What are the key properties of tert-butyl 4-(2-acetamido-3-methoxy-3-oxopropyl)piperidine-1-carboxylate?
tert-butyl 4-(2-acetamido-3-methoxy-3-oxopropyl)piperidine-1-carboxylate has a molecular weight of 328.41 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-acetamido-3-methoxy-3-oxopropyl)piperidine-1-carboxylate is sourced from PubChem (CID 156644326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).