tert-butyl (4R)-4-naphthalen-2-yl-2-oxopiperidine-1-carboxylate

C20H23NO3 — CID 102457240

IUPACtert-butyl (4R)-4-naphthalen-2-yl-2-oxopiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](c2ccc3ccccc3c2)CC1=O
InChIInChI=1S/C20H23NO3/c1-20(2,3)24-19(23)21-11-10-17(13-18(21)22)16-9-8-14-6-4-5-7-15(14)12-16/h4-9,12,17H,10-11,13H2,1-3H3/t17-/m1/s1
InChIKeyODUDZANNXJPBHC-QGZVFWFLSA-N
MW325.41 g/mol
LogP4.48
Rot. Bonds1

About tert-butyl (4R)-4-naphthalen-2-yl-2-oxopiperidine-1-carboxylate

tert-butyl (4R)-4-naphthalen-2-yl-2-oxopiperidine-1-carboxylate (PubChem CID 102457240) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is tert-butyl (4R)-4-naphthalen-2-yl-2-oxopiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-4-naphthalen-2-yl-2-oxopiperidine-1-carboxylate
PubChem CID102457240
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Nametert-butyl (4R)-4-naphthalen-2-yl-2-oxopiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](c2ccc3ccccc3c2)CC1=O
InChIInChI=1S/C20H23NO3/c1-20(2,3)24-19(23)21-11-10-17(13-18(21)22)16-9-8-14-6-4-5-7-15(14)12-16/h4-9,12,17H,10-11,13H2,1-3H3/t17-/m1/s1
InChIKeyODUDZANNXJPBHC-QGZVFWFLSA-N
XLogP4.48
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxopiperidine-1-carboxylate
CID 156708923
tert-butyl 4-(4-fluorophenyl)-2-oxopyrrolidine-1-carboxylate
CID 21350374
tert-butyl 4-(4-aminophenyl)-2-oxopyrrolidine-1-carboxylate
CID 171624590
tert-butyl 4-(2-naphthalen-2-ylacetyl)piperazine-1-carboxylate
CID 140993282
(3R)-1-methyl-3-naphthalen-2-ylpyrrolidine
CID 97355477
tert-butyl 4-quinolin-3-ylpiperidine-1-carboxylate
CID 102136032
tert-butyl (4S)-2-oxo-4-phenylimidazolidine-1-carboxylate
CID 155394671
tert-butyl 3-(2-naphthalen-2-ylacetyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171948961
tert-butyl 4-(1-methylindol-6-yl)piperidine-1-carboxylate
CID 177057091
tert-butyl 6-(naphthalen-2-ylmethyl)-4-oxo-2,3-dihydroquinoline-1-carboxylate
CID 134338854
tert-butyl (4R)-4-hydroxy-3,4-dihydro-2H-quinoline-1-carboxylate
CID 124566960
tert-butyl 3-(naphthalene-2-carbonyl)piperidine-1-carboxylate
CID 174881226

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-4-naphthalen-2-yl-2-oxopiperidine-1-carboxylate?
The IUPAC name of tert-butyl (4R)-4-naphthalen-2-yl-2-oxopiperidine-1-carboxylate (CID 102457240) is tert-butyl (4R)-4-naphthalen-2-yl-2-oxopiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (4R)-4-naphthalen-2-yl-2-oxopiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (4R)-4-naphthalen-2-yl-2-oxopiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@@H](c2ccc3ccccc3c2)CC1=O.
What is the InChIKey of tert-butyl (4R)-4-naphthalen-2-yl-2-oxopiperidine-1-carboxylate?
The InChIKey is ODUDZANNXJPBHC-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H23NO3/c1-20(2,3)24-19(23)21-11-10-17(13-18(21)22)16-9-8-14-6-4-5-7-15(14)12-16/h4-9,12,17H,10-11,13H2,1-3H3/t17-/m1/s1.
What are the key properties of tert-butyl (4R)-4-naphthalen-2-yl-2-oxopiperidine-1-carboxylate?
tert-butyl (4R)-4-naphthalen-2-yl-2-oxopiperidine-1-carboxylate has a molecular weight of 325.41 g/mol, XLogP of 4.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-4-naphthalen-2-yl-2-oxopiperidine-1-carboxylate is sourced from PubChem (CID 102457240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).