tert-butyl (3R)-3-(2-methylbenzoyl)piperidine-1-carboxylate

C18H25NO3 — CID 59382852

IUPACtert-butyl (3R)-3-(2-methylbenzoyl)piperidine-1-carboxylate
SMILESCc1ccccc1C(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H25NO3/c1-13-8-5-6-10-15(13)16(20)14-9-7-11-19(12-14)17(21)22-18(2,3)4/h5-6,8,10,14H,7,9,11-12H2,1-4H3/t14-/m1/s1
InChIKeyRFMCUUFKBIHBOI-CQSZACIVSA-N
MW303.40 g/mol
LogP3.82
Rot. Bonds2

About tert-butyl (3R)-3-(2-methylbenzoyl)piperidine-1-carboxylate

tert-butyl (3R)-3-(2-methylbenzoyl)piperidine-1-carboxylate (PubChem CID 59382852) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is tert-butyl (3R)-3-(2-methylbenzoyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-(2-methylbenzoyl)piperidine-1-carboxylate
PubChem CID59382852
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Nametert-butyl (3R)-3-(2-methylbenzoyl)piperidine-1-carboxylate
SMILESCc1ccccc1C(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H25NO3/c1-13-8-5-6-10-15(13)16(20)14-9-7-11-19(12-14)17(21)22-18(2,3)4/h5-6,8,10,14H,7,9,11-12H2,1-4H3/t14-/m1/s1
InChIKeyRFMCUUFKBIHBOI-CQSZACIVSA-N
XLogP3.82
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-(2-methoxybenzoyl)piperidine-1-carboxylate
CID 122200687
tert-butyl 3-(4-methylbenzoyl)piperidine-1-carboxylate
CID 122200685
tert-butyl 3-(naphthalene-2-carbonyl)piperidine-1-carboxylate
CID 174881226
tert-butyl 3-(4-fluoro-2-methylbenzoyl)pyrrolidine-1-carboxylate
CID 107091958
tert-butyl 3-(4-methoxy-3-methylbenzoyl)piperidine-1-carboxylate
CID 122359770
tert-butyl 3-[2-(cyclopropylmethoxy)-3-fluorobenzoyl]piperidine-1-carboxylate
CID 67193895
tert-butyl (3R)-3-(pyridine-3-carbonyl)piperidine-1-carboxylate
CID 16671359
tert-butyl 3-[[(2-fluorobenzoyl)amino]carbamoyl]piperidine-1-carboxylate
CID 166104055
tert-butyl 3-phenylpiperidine-1-carboxylate
CID 57440165
tert-butyl 3-(3-phenylazepane-1-carbonyl)piperidine-1-carboxylate
CID 121146182
cyclooctyl-(2-methylphenyl)methanone
CID 80602643
tert-butyl 3-[4-(hydroxymethyl)naphthalene-2-carbonyl]piperidine-1-carboxylate
CID 121473838

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-(2-methylbenzoyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-(2-methylbenzoyl)piperidine-1-carboxylate (CID 59382852) is tert-butyl (3R)-3-(2-methylbenzoyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-(2-methylbenzoyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-(2-methylbenzoyl)piperidine-1-carboxylate is Cc1ccccc1C(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl (3R)-3-(2-methylbenzoyl)piperidine-1-carboxylate?
The InChIKey is RFMCUUFKBIHBOI-CQSZACIVSA-N. The full InChI is InChI=1S/C18H25NO3/c1-13-8-5-6-10-15(13)16(20)14-9-7-11-19(12-14)17(21)22-18(2,3)4/h5-6,8,10,14H,7,9,11-12H2,1-4H3/t14-/m1/s1.
What are the key properties of tert-butyl (3R)-3-(2-methylbenzoyl)piperidine-1-carboxylate?
tert-butyl (3R)-3-(2-methylbenzoyl)piperidine-1-carboxylate has a molecular weight of 303.40 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-(2-methylbenzoyl)piperidine-1-carboxylate is sourced from PubChem (CID 59382852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).