tert-butyl 4-(5-methoxy-3,3-dimethyl-5-oxopentyl)piperidine-1-carboxylate

C18H33NO4 — CID 134979291

IUPACtert-butyl 4-(5-methoxy-3,3-dimethyl-5-oxopentyl)piperidine-1-carboxylate
SMILESCOC(=O)CC(C)(C)CCC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H33NO4/c1-17(2,3)23-16(21)19-11-8-14(9-12-19)7-10-18(4,5)13-15(20)22-6/h14H,7-13H2,1-6H3
InChIKeyUYWUJHYZBFDKFK-UHFFFAOYSA-N
MW327.47 g/mol
LogP4.00
Rot. Bonds5

About tert-butyl 4-(5-methoxy-3,3-dimethyl-5-oxopentyl)piperidine-1-carboxylate

tert-butyl 4-(5-methoxy-3,3-dimethyl-5-oxopentyl)piperidine-1-carboxylate (PubChem CID 134979291) has the molecular formula C18H33NO4 and a molecular weight of 327.47 g/mol. Its IUPAC name is tert-butyl 4-(5-methoxy-3,3-dimethyl-5-oxopentyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(5-methoxy-3,3-dimethyl-5-oxopentyl)piperidine-1-carboxylate
PubChem CID134979291
Molecular FormulaC18H33NO4
Molecular Weight327.47 g/mol
Exact Mass327.24
IUPAC Nametert-butyl 4-(5-methoxy-3,3-dimethyl-5-oxopentyl)piperidine-1-carboxylate
SMILESCOC(=O)CC(C)(C)CCC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H33NO4/c1-17(2,3)23-16(21)19-11-8-14(9-12-19)7-10-18(4,5)13-15(20)22-6/h14H,7-13H2,1-6H3
InChIKeyUYWUJHYZBFDKFK-UHFFFAOYSA-N
XLogP4.00
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(5-methoxy-3,3-dimethyl-5-oxopentyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(5-methoxy-3,3-dimethyl-5-oxopentyl)piperidine-1-carboxylate (CID 134979291) is tert-butyl 4-(5-methoxy-3,3-dimethyl-5-oxopentyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(5-methoxy-3,3-dimethyl-5-oxopentyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(5-methoxy-3,3-dimethyl-5-oxopentyl)piperidine-1-carboxylate is COC(=O)CC(C)(C)CCC1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(5-methoxy-3,3-dimethyl-5-oxopentyl)piperidine-1-carboxylate?
The InChIKey is UYWUJHYZBFDKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO4/c1-17(2,3)23-16(21)19-11-8-14(9-12-19)7-10-18(4,5)13-15(20)22-6/h14H,7-13H2,1-6H3.
What are the key properties of tert-butyl 4-(5-methoxy-3,3-dimethyl-5-oxopentyl)piperidine-1-carboxylate?
tert-butyl 4-(5-methoxy-3,3-dimethyl-5-oxopentyl)piperidine-1-carboxylate has a molecular weight of 327.47 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(5-methoxy-3,3-dimethyl-5-oxopentyl)piperidine-1-carboxylate is sourced from PubChem (CID 134979291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).