tert-butyl 3-(4-methoxy-3-methylbenzoyl)piperidine-1-carboxylate

C19H27NO4 — CID 122359770

IUPACtert-butyl 3-(4-methoxy-3-methylbenzoyl)piperidine-1-carboxylate
SMILESCOc1ccc(C(=O)C2CCCN(C(=O)OC(C)(C)C)C2)cc1C
InChIInChI=1S/C19H27NO4/c1-13-11-14(8-9-16(13)23-5)17(21)15-7-6-10-20(12-15)18(22)24-19(2,3)4/h8-9,11,15H,6-7,10,12H2,1-5H3
InChIKeyVOQHVVZXRHRGFJ-UHFFFAOYSA-N
MW333.43 g/mol
LogP3.83
Rot. Bonds3

About tert-butyl 3-(4-methoxy-3-methylbenzoyl)piperidine-1-carboxylate

tert-butyl 3-(4-methoxy-3-methylbenzoyl)piperidine-1-carboxylate (PubChem CID 122359770) has the molecular formula C19H27NO4 and a molecular weight of 333.43 g/mol. Its IUPAC name is tert-butyl 3-(4-methoxy-3-methylbenzoyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(4-methoxy-3-methylbenzoyl)piperidine-1-carboxylate
PubChem CID122359770
Molecular FormulaC19H27NO4
Molecular Weight333.43 g/mol
Exact Mass333.19
IUPAC Nametert-butyl 3-(4-methoxy-3-methylbenzoyl)piperidine-1-carboxylate
SMILESCOc1ccc(C(=O)C2CCCN(C(=O)OC(C)(C)C)C2)cc1C
InChIInChI=1S/C19H27NO4/c1-13-11-14(8-9-16(13)23-5)17(21)15-7-6-10-20(12-15)18(22)24-19(2,3)4/h8-9,11,15H,6-7,10,12H2,1-5H3
InChIKeyVOQHVVZXRHRGFJ-UHFFFAOYSA-N
XLogP3.83
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-(4-methylbenzoyl)piperidine-1-carboxylate
CID 122200685
tert-butyl 3-(naphthalene-2-carbonyl)piperidine-1-carboxylate
CID 174881226
tert-butyl 3-(2-methoxybenzoyl)piperidine-1-carboxylate
CID 122200687
tert-butyl 3-(6-methoxypyridine-3-carbonyl)piperidine-1-carboxylate
CID 164888365
tert-butyl 3-(6-cyano-5-methylnaphthalene-2-carbonyl)piperidine-1-carboxylate
CID 121473867
tert-butyl (3R)-3-(2-methylbenzoyl)piperidine-1-carboxylate
CID 59382852
tert-butyl 3-(5-chloro-2-methoxybenzoyl)pyrrolidine-1-carboxylate
CID 107091953
tert-butyl (3R)-3-(pyridine-3-carbonyl)piperidine-1-carboxylate
CID 16671359
tert-butyl 3-(5-methoxypyridine-3-carbonyl)pyrrolidine-1-carboxylate
CID 107092066
tert-butyl (3R)-3-(4-bromobenzoyl)pyrrolidine-1-carboxylate
CID 124566348
(4-methoxy-3-methylphenyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 95970544
tert-butyl 3-[4-(hydroxymethyl)naphthalene-2-carbonyl]piperidine-1-carboxylate
CID 121473838

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(4-methoxy-3-methylbenzoyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(4-methoxy-3-methylbenzoyl)piperidine-1-carboxylate (CID 122359770) is tert-butyl 3-(4-methoxy-3-methylbenzoyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(4-methoxy-3-methylbenzoyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(4-methoxy-3-methylbenzoyl)piperidine-1-carboxylate is COc1ccc(C(=O)C2CCCN(C(=O)OC(C)(C)C)C2)cc1C.
What is the InChIKey of tert-butyl 3-(4-methoxy-3-methylbenzoyl)piperidine-1-carboxylate?
The InChIKey is VOQHVVZXRHRGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO4/c1-13-11-14(8-9-16(13)23-5)17(21)15-7-6-10-20(12-15)18(22)24-19(2,3)4/h8-9,11,15H,6-7,10,12H2,1-5H3.
What are the key properties of tert-butyl 3-(4-methoxy-3-methylbenzoyl)piperidine-1-carboxylate?
tert-butyl 3-(4-methoxy-3-methylbenzoyl)piperidine-1-carboxylate has a molecular weight of 333.43 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(4-methoxy-3-methylbenzoyl)piperidine-1-carboxylate is sourced from PubChem (CID 122359770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).