methyl 1-(2-ethoxybenzoyl)piperidine-3-carboxylate

C16H21NO4 — CID 78919045

IUPACmethyl 1-(2-ethoxybenzoyl)piperidine-3-carboxylate
SMILESCCOc1ccccc1C(=O)N1CCCC(C(=O)OC)C1
InChIInChI=1S/C16H21NO4/c1-3-21-14-9-5-4-8-13(14)15(18)17-10-6-7-12(11-17)16(19)20-2/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3
InChIKeyGPHOWRWSBKKVPI-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.11
Rot. Bonds4

About methyl 1-(2-ethoxybenzoyl)piperidine-3-carboxylate

methyl 1-(2-ethoxybenzoyl)piperidine-3-carboxylate (PubChem CID 78919045) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is methyl 1-(2-ethoxybenzoyl)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-ethoxybenzoyl)piperidine-3-carboxylate
PubChem CID78919045
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Namemethyl 1-(2-ethoxybenzoyl)piperidine-3-carboxylate
SMILESCCOc1ccccc1C(=O)N1CCCC(C(=O)OC)C1
InChIInChI=1S/C16H21NO4/c1-3-21-14-9-5-4-8-13(14)15(18)17-10-6-7-12(11-17)16(19)20-2/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3
InChIKeyGPHOWRWSBKKVPI-UHFFFAOYSA-N
XLogP2.11
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethoxybenzoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77041537
methyl 1-(2-methoxybenzoyl)pyrrolidine-3-carboxylate
CID 84581536
[3-(2-chloroethyl)piperidin-1-yl]-(2-ethoxyphenyl)methanone
CID 63395748
methyl (3R)-1-[2-(trifluoromethyl)benzoyl]piperidine-3-carboxylate
CID 97355286
ethyl (3S)-1-(2-methylbenzoyl)piperidine-3-carboxylate
CID 81345354
(2-ethoxyphenyl)-[3-ethyl-4-(methylamino)piperidin-1-yl]methanone
CID 114506351
ethyl 1-(2-methoxybenzoyl)pyrrolidine-3-carboxylate
CID 59322202
methyl (3S)-1-(2-hydroxy-3-methylbenzoyl)piperidine-3-carboxylate
CID 78919388
methyl 1-(2-methylsulfanylpyridine-3-carbonyl)piperidine-3-carboxylate
CID 78919070
ethyl 1-[2-(methylamino)benzoyl]piperidine-3-carboxylate
CID 61377643
methyl 1-[2-(2-methoxyphenoxy)acetyl]piperidine-3-carboxylate
CID 108731344
methyl 1-(2-amino-3-methylbenzoyl)piperidine-3-carboxylate
CID 115532995

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-ethoxybenzoyl)piperidine-3-carboxylate?
The IUPAC name of methyl 1-(2-ethoxybenzoyl)piperidine-3-carboxylate (CID 78919045) is methyl 1-(2-ethoxybenzoyl)piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-(2-ethoxybenzoyl)piperidine-3-carboxylate?
The canonical SMILES for methyl 1-(2-ethoxybenzoyl)piperidine-3-carboxylate is CCOc1ccccc1C(=O)N1CCCC(C(=O)OC)C1.
What is the InChIKey of methyl 1-(2-ethoxybenzoyl)piperidine-3-carboxylate?
The InChIKey is GPHOWRWSBKKVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-3-21-14-9-5-4-8-13(14)15(18)17-10-6-7-12(11-17)16(19)20-2/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3.
What are the key properties of methyl 1-(2-ethoxybenzoyl)piperidine-3-carboxylate?
methyl 1-(2-ethoxybenzoyl)piperidine-3-carboxylate has a molecular weight of 291.35 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-ethoxybenzoyl)piperidine-3-carboxylate is sourced from PubChem (CID 78919045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).