tert-butyl 4-hydroxy-4-[(1R)-2-oxocyclopentyl]piperidine-1-carboxylate

C15H25NO4 — CID 124747623

IUPACtert-butyl 4-hydroxy-4-[(1R)-2-oxocyclopentyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)([C@H]2CCCC2=O)CC1
InChIInChI=1S/C15H25NO4/c1-14(2,3)20-13(18)16-9-7-15(19,8-10-16)11-5-4-6-12(11)17/h11,19H,4-10H2,1-3H3/t11-/m0/s1
InChIKeyUDJLPWBRFFKPHB-NSHDSACASA-N
MW283.37 g/mol
LogP2.12
Rot. Bonds1

About tert-butyl 4-hydroxy-4-[(1R)-2-oxocyclopentyl]piperidine-1-carboxylate

tert-butyl 4-hydroxy-4-[(1R)-2-oxocyclopentyl]piperidine-1-carboxylate (PubChem CID 124747623) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is tert-butyl 4-hydroxy-4-[(1R)-2-oxocyclopentyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-hydroxy-4-[(1R)-2-oxocyclopentyl]piperidine-1-carboxylate
PubChem CID124747623
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Nametert-butyl 4-hydroxy-4-[(1R)-2-oxocyclopentyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)([C@H]2CCCC2=O)CC1
InChIInChI=1S/C15H25NO4/c1-14(2,3)20-13(18)16-9-7-15(19,8-10-16)11-5-4-6-12(11)17/h11,19H,4-10H2,1-3H3/t11-/m0/s1
InChIKeyUDJLPWBRFFKPHB-NSHDSACASA-N
XLogP2.12
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-hydroxy-4-[(1S)-2-oxocyclopentyl]piperidine-1-carboxylate
CID 124747622
tert-butyl 4-hydroxy-4-[(1R)-2-oxocyclohexyl]piperidine-1-carboxylate
CID 124850116
tert-butyl 4-hydroxy-4-(2-oxothiolan-3-yl)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;thiolan-2-one
CID 162027674
tert-butyl 4-(1-hydroxycyclopropyl)piperidine-1-carboxylate
CID 84801090
tert-butyl 4,4-difluoro-5-methylideneazepane-1-carboxylate
CID 138039661
tert-butyl 4-hydroxy-4-methylpiperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate
CID 160805551
tert-butyl 4,4-dimethylazepane-1-carboxylate
CID 65286456
tert-butyl 4,4-dimethyl-5-oxoazepane-1-carboxylate
CID 118230377
tert-butyl 7-azaspiro[3.5]nonane-7-carboxylate
CID 130609664
tert-butyl 4-tert-butyl-4-methylpiperidine-1-carboxylate
CID 122487124
tert-butyl 2-oxo-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate
CID 22975821
tert-butyl 4-methyl-5-oxoazepane-1-carboxylate;hydrochloride
CID 133062275

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-hydroxy-4-[(1R)-2-oxocyclopentyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-hydroxy-4-[(1R)-2-oxocyclopentyl]piperidine-1-carboxylate (CID 124747623) is tert-butyl 4-hydroxy-4-[(1R)-2-oxocyclopentyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-hydroxy-4-[(1R)-2-oxocyclopentyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-hydroxy-4-[(1R)-2-oxocyclopentyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(O)([C@H]2CCCC2=O)CC1.
What is the InChIKey of tert-butyl 4-hydroxy-4-[(1R)-2-oxocyclopentyl]piperidine-1-carboxylate?
The InChIKey is UDJLPWBRFFKPHB-NSHDSACASA-N. The full InChI is InChI=1S/C15H25NO4/c1-14(2,3)20-13(18)16-9-7-15(19,8-10-16)11-5-4-6-12(11)17/h11,19H,4-10H2,1-3H3/t11-/m0/s1.
What are the key properties of tert-butyl 4-hydroxy-4-[(1R)-2-oxocyclopentyl]piperidine-1-carboxylate?
tert-butyl 4-hydroxy-4-[(1R)-2-oxocyclopentyl]piperidine-1-carboxylate has a molecular weight of 283.37 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-hydroxy-4-[(1R)-2-oxocyclopentyl]piperidine-1-carboxylate is sourced from PubChem (CID 124747623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).