ethyl 1-(6-oxo-1-phenylpyridine-3-carbonyl)piperidine-3-carboxylate

C20H22N2O4 — CID 91954923

IUPACethyl 1-(6-oxo-1-phenylpyridine-3-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2ccc(=O)n(-c3ccccc3)c2)C1
InChIInChI=1S/C20H22N2O4/c1-2-26-20(25)16-7-6-12-21(13-16)19(24)15-10-11-18(23)22(14-15)17-8-4-3-5-9-17/h3-5,8-11,14,16H,2,6-7,12-13H2,1H3
InChIKeyULBVLUANXVBTBG-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.25
Rot. Bonds4

About ethyl 1-(6-oxo-1-phenylpyridine-3-carbonyl)piperidine-3-carboxylate

ethyl 1-(6-oxo-1-phenylpyridine-3-carbonyl)piperidine-3-carboxylate (PubChem CID 91954923) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is ethyl 1-(6-oxo-1-phenylpyridine-3-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(6-oxo-1-phenylpyridine-3-carbonyl)piperidine-3-carboxylate
PubChem CID91954923
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Nameethyl 1-(6-oxo-1-phenylpyridine-3-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2ccc(=O)n(-c3ccccc3)c2)C1
InChIInChI=1S/C20H22N2O4/c1-2-26-20(25)16-7-6-12-21(13-16)19(24)15-10-11-18(23)22(14-15)17-8-4-3-5-9-17/h3-5,8-11,14,16H,2,6-7,12-13H2,1H3
InChIKeyULBVLUANXVBTBG-UHFFFAOYSA-N
XLogP2.25
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (3R)-1-(4-benzoylbenzoyl)piperidine-3-carboxylate
CID 30283825
ethyl (3S)-1-(naphthalene-2-carbonyl)piperidine-3-carboxylate
CID 26710230
ethyl (3S)-1-(4-pyrrol-1-ylbenzoyl)piperidine-3-carboxylate
CID 51925940
ethyl 1-[4-(phenylcarbamoylamino)benzoyl]piperidine-3-carboxylate
CID 51250741
ethyl (3R)-1-[4-(hydroxymethyl)benzoyl]piperidine-3-carboxylate
CID 115538788
ethyl 1-(4-tert-butylbenzoyl)piperidine-3-carboxylate
CID 3436669
ethyl (3R)-1-(pyridine-4-carbonyl)piperidine-3-carboxylate
CID 81344217
ethyl (3R)-1-(2-phenylbenzoyl)piperidine-3-carboxylate
CID 39950024
ethyl 1-(5-methyl-2-phenyltriazole-4-carbonyl)piperidine-3-carboxylate
CID 46532056
ethyl (3R)-1-(4-propan-2-ylbenzoyl)piperidine-3-carboxylate
CID 2385973
ethyl (3S)-1-(2-methylbenzoyl)piperidine-3-carboxylate
CID 81345354
propyl 1-benzoylpiperidine-3-carboxylate
CID 57315331

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(6-oxo-1-phenylpyridine-3-carbonyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(6-oxo-1-phenylpyridine-3-carbonyl)piperidine-3-carboxylate (CID 91954923) is ethyl 1-(6-oxo-1-phenylpyridine-3-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(6-oxo-1-phenylpyridine-3-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(6-oxo-1-phenylpyridine-3-carbonyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)c2ccc(=O)n(-c3ccccc3)c2)C1.
What is the InChIKey of ethyl 1-(6-oxo-1-phenylpyridine-3-carbonyl)piperidine-3-carboxylate?
The InChIKey is ULBVLUANXVBTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-2-26-20(25)16-7-6-12-21(13-16)19(24)15-10-11-18(23)22(14-15)17-8-4-3-5-9-17/h3-5,8-11,14,16H,2,6-7,12-13H2,1H3.
What are the key properties of ethyl 1-(6-oxo-1-phenylpyridine-3-carbonyl)piperidine-3-carboxylate?
ethyl 1-(6-oxo-1-phenylpyridine-3-carbonyl)piperidine-3-carboxylate has a molecular weight of 354.41 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(6-oxo-1-phenylpyridine-3-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 91954923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).