tert-butyl (3R)-3-cyclopentyl-4-oxopiperidine-1-carboxylate

C15H25NO3 — CID 124601624

IUPACtert-butyl (3R)-3-cyclopentyl-4-oxopiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(=O)[C@H](C2CCCC2)C1
InChIInChI=1S/C15H25NO3/c1-15(2,3)19-14(18)16-9-8-13(17)12(10-16)11-6-4-5-7-11/h11-12H,4-10H2,1-3H3/t12-/m0/s1
InChIKeyJQUSMNKYLKCTHR-LBPRGKRZSA-N
MW267.37 g/mol
LogP3.00
Rot. Bonds1

About tert-butyl (3R)-3-cyclopentyl-4-oxopiperidine-1-carboxylate

tert-butyl (3R)-3-cyclopentyl-4-oxopiperidine-1-carboxylate (PubChem CID 124601624) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is tert-butyl (3R)-3-cyclopentyl-4-oxopiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-cyclopentyl-4-oxopiperidine-1-carboxylate
PubChem CID124601624
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Nametert-butyl (3R)-3-cyclopentyl-4-oxopiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(=O)[C@H](C2CCCC2)C1
InChIInChI=1S/C15H25NO3/c1-15(2,3)19-14(18)16-9-8-13(17)12(10-16)11-6-4-5-7-11/h11-12H,4-10H2,1-3H3/t12-/m0/s1
InChIKeyJQUSMNKYLKCTHR-LBPRGKRZSA-N
XLogP3.00
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 86327449
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tert-butyl (3R)-3-[(1R)-1-hydroxy-2-methylpropyl]-4-oxopiperidine-1-carboxylate
CID 11975533
tert-butyl 3-(cyclobutanecarbonyl)-4-oxopiperidine-1-carboxylate
CID 121435468
tert-butyl 3-(cyclobutylmethyl)-4-oxopiperidine-1-carboxylate
CID 114451411
tert-butyl (3R)-3-methoxy-4-oxopiperidine-1-carboxylate
CID 86318470
tert-butyl 1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxylate
CID 73171544
tert-butyl 4-oxo-3-trimethylsilylpiperidine-1-carboxylate
CID 146158103
tert-butyl 4-oxo-3-pentan-3-ylpiperidine-1-carboxylate
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CID 57376569

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-cyclopentyl-4-oxopiperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-cyclopentyl-4-oxopiperidine-1-carboxylate (CID 124601624) is tert-butyl (3R)-3-cyclopentyl-4-oxopiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-cyclopentyl-4-oxopiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-cyclopentyl-4-oxopiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(=O)[C@H](C2CCCC2)C1.
What is the InChIKey of tert-butyl (3R)-3-cyclopentyl-4-oxopiperidine-1-carboxylate?
The InChIKey is JQUSMNKYLKCTHR-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H25NO3/c1-15(2,3)19-14(18)16-9-8-13(17)12(10-16)11-6-4-5-7-11/h11-12H,4-10H2,1-3H3/t12-/m0/s1.
What are the key properties of tert-butyl (3R)-3-cyclopentyl-4-oxopiperidine-1-carboxylate?
tert-butyl (3R)-3-cyclopentyl-4-oxopiperidine-1-carboxylate has a molecular weight of 267.37 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-cyclopentyl-4-oxopiperidine-1-carboxylate is sourced from PubChem (CID 124601624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).