tert-butyl 3-(2-methoxybenzoyl)piperidine-1-carboxylate

C18H25NO4 — CID 122200687

IUPACtert-butyl 3-(2-methoxybenzoyl)piperidine-1-carboxylate
SMILESCOc1ccccc1C(=O)C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H25NO4/c1-18(2,3)23-17(21)19-11-7-8-13(12-19)16(20)14-9-5-6-10-15(14)22-4/h5-6,9-10,13H,7-8,11-12H2,1-4H3
InChIKeyHBNYULRRGBCBQV-UHFFFAOYSA-N
MW319.40 g/mol
LogP3.53
Rot. Bonds3

About tert-butyl 3-(2-methoxybenzoyl)piperidine-1-carboxylate

tert-butyl 3-(2-methoxybenzoyl)piperidine-1-carboxylate (PubChem CID 122200687) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is tert-butyl 3-(2-methoxybenzoyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(2-methoxybenzoyl)piperidine-1-carboxylate
PubChem CID122200687
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Nametert-butyl 3-(2-methoxybenzoyl)piperidine-1-carboxylate
SMILESCOc1ccccc1C(=O)C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H25NO4/c1-18(2,3)23-17(21)19-11-7-8-13(12-19)16(20)14-9-5-6-10-15(14)22-4/h5-6,9-10,13H,7-8,11-12H2,1-4H3
InChIKeyHBNYULRRGBCBQV-UHFFFAOYSA-N
XLogP3.53
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3R)-3-(2-methylbenzoyl)piperidine-1-carboxylate
CID 59382852
[(3S)-1-(2,3-dimethoxybenzoyl)piperidin-3-yl]-(2-methoxyphenyl)methanone
CID 95725717
tert-butyl 3-(4-methoxy-3-methylbenzoyl)piperidine-1-carboxylate
CID 122359770
tert-butyl 3-(4-methylbenzoyl)piperidine-1-carboxylate
CID 122200685
tert-butyl 3-(5-chloro-2-methoxybenzoyl)pyrrolidine-1-carboxylate
CID 107091953
1-[(3S)-3-(2-methoxybenzoyl)piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 95711262
methyl 4-[[(3R)-3-(2-methoxybenzoyl)piperidine-1-carbonyl]amino]benzoate
CID 42394704
tert-butyl 3-(naphthalene-2-carbonyl)piperidine-1-carboxylate
CID 174881226
cyclooctyl-(2-methoxyphenyl)methanone
CID 80602820
tert-butyl 3-fluoropiperidine-1-carboxylate;1-fluoro-2-methoxybenzene
CID 144885911
tert-butyl 4-(2-fluoro-3-methoxybenzoyl)piperidine-1-carboxylate
CID 58817684
tert-butyl 3-(6-methoxypyridine-3-carbonyl)piperidine-1-carboxylate
CID 164888365

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2-methoxybenzoyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(2-methoxybenzoyl)piperidine-1-carboxylate (CID 122200687) is tert-butyl 3-(2-methoxybenzoyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(2-methoxybenzoyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(2-methoxybenzoyl)piperidine-1-carboxylate is COc1ccccc1C(=O)C1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-(2-methoxybenzoyl)piperidine-1-carboxylate?
The InChIKey is HBNYULRRGBCBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4/c1-18(2,3)23-17(21)19-11-7-8-13(12-19)16(20)14-9-5-6-10-15(14)22-4/h5-6,9-10,13H,7-8,11-12H2,1-4H3.
What are the key properties of tert-butyl 3-(2-methoxybenzoyl)piperidine-1-carboxylate?
tert-butyl 3-(2-methoxybenzoyl)piperidine-1-carboxylate has a molecular weight of 319.40 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2-methoxybenzoyl)piperidine-1-carboxylate is sourced from PubChem (CID 122200687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).