methyl 1-(4-ethoxybenzoyl)piperidine-4-carboxylate

C16H21NO4 — CID 884325

IUPACmethyl 1-(4-ethoxybenzoyl)piperidine-4-carboxylate
SMILESCCOc1ccc(C(=O)N2CCC(C(=O)OC)CC2)cc1
InChIInChI=1S/C16H21NO4/c1-3-21-14-6-4-12(5-7-14)15(18)17-10-8-13(9-11-17)16(19)20-2/h4-7,13H,3,8-11H2,1-2H3
InChIKeyPBATYQGBBMNCNC-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.11
Rot. Bonds4

About methyl 1-(4-ethoxybenzoyl)piperidine-4-carboxylate

methyl 1-(4-ethoxybenzoyl)piperidine-4-carboxylate (PubChem CID 884325) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is methyl 1-(4-ethoxybenzoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-ethoxybenzoyl)piperidine-4-carboxylate
PubChem CID884325
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Namemethyl 1-(4-ethoxybenzoyl)piperidine-4-carboxylate
SMILESCCOc1ccc(C(=O)N2CCC(C(=O)OC)CC2)cc1
InChIInChI=1S/C16H21NO4/c1-3-21-14-6-4-12(5-7-14)15(18)17-10-8-13(9-11-17)16(19)20-2/h4-7,13H,3,8-11H2,1-2H3
InChIKeyPBATYQGBBMNCNC-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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Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-ethoxybenzoyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(4-ethoxybenzoyl)piperidine-4-carboxylate (CID 884325) is methyl 1-(4-ethoxybenzoyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(4-ethoxybenzoyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(4-ethoxybenzoyl)piperidine-4-carboxylate is CCOc1ccc(C(=O)N2CCC(C(=O)OC)CC2)cc1.
What is the InChIKey of methyl 1-(4-ethoxybenzoyl)piperidine-4-carboxylate?
The InChIKey is PBATYQGBBMNCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-3-21-14-6-4-12(5-7-14)15(18)17-10-8-13(9-11-17)16(19)20-2/h4-7,13H,3,8-11H2,1-2H3.
What are the key properties of methyl 1-(4-ethoxybenzoyl)piperidine-4-carboxylate?
methyl 1-(4-ethoxybenzoyl)piperidine-4-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-(4-ethoxybenzoyl)piperidine-4-carboxylate is sourced from PubChem (CID 884325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).