ethyl 4-(4-methoxy-6-oxo-1-phenylpyridine-3-carbonyl)piperazine-1-carboxylate

C20H23N3O5 — CID 126854567

IUPACethyl 4-(4-methoxy-6-oxo-1-phenylpyridine-3-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cn(-c3ccccc3)c(=O)cc2OC)CC1
InChIInChI=1S/C20H23N3O5/c1-3-28-20(26)22-11-9-21(10-12-22)19(25)16-14-23(15-7-5-4-6-8-15)18(24)13-17(16)27-2/h4-8,13-14H,3,9-12H2,1-2H3
InChIKeyDTKAZVLXVJYVSV-UHFFFAOYSA-N
MW385.42 g/mol
LogP1.76
Rot. Bonds4

About ethyl 4-(4-methoxy-6-oxo-1-phenylpyridine-3-carbonyl)piperazine-1-carboxylate

ethyl 4-(4-methoxy-6-oxo-1-phenylpyridine-3-carbonyl)piperazine-1-carboxylate (PubChem CID 126854567) has the molecular formula C20H23N3O5 and a molecular weight of 385.42 g/mol. Its IUPAC name is ethyl 4-(4-methoxy-6-oxo-1-phenylpyridine-3-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-methoxy-6-oxo-1-phenylpyridine-3-carbonyl)piperazine-1-carboxylate
PubChem CID126854567
Molecular FormulaC20H23N3O5
Molecular Weight385.42 g/mol
Exact Mass385.16
IUPAC Nameethyl 4-(4-methoxy-6-oxo-1-phenylpyridine-3-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cn(-c3ccccc3)c(=O)cc2OC)CC1
InChIInChI=1S/C20H23N3O5/c1-3-28-20(26)22-11-9-21(10-12-22)19(25)16-14-23(15-7-5-4-6-8-15)18(24)13-17(16)27-2/h4-8,13-14H,3,9-12H2,1-2H3
InChIKeyDTKAZVLXVJYVSV-UHFFFAOYSA-N
XLogP1.76
TPSA81.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperazine-1-carboxylate
CID 17404168
3-[1-(4-methoxy-6-oxo-1-phenylpyridine-3-carbonyl)azetidin-3-yl]imidazolidine-2,4-dione
CID 121017264
ethyl 4-(2,4-dimethoxybenzoyl)-1,4-diazepane-1-carboxylate
CID 110808976
ethyl 4-(2-methylbenzoyl)piperazine-1-carboxylate
CID 969363
ethyl 4-benzoylpiperazine-1-carboxylate
CID 3273572
ethyl 4-[2-[(2-methoxy-4-methylsulfanylbenzoyl)amino]benzoyl]piperazine-1-carboxylate
CID 17311858
ethyl 4-(5-methyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carbonyl)piperazine-1-carboxylate
CID 18570228
ethyl 4-[2-(2-methoxyphenyl)acetyl]piperazine-1-carboxylate
CID 694651
ethyl 4-(2-anilinobenzoyl)piperazine-1-carboxylate
CID 25344409
5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-phenylpyridin-2-one
CID 91954902
[4-(2,5-dimethoxy-4-methylbenzoyl)piperazin-1-yl]-phenylmethanone
CID 110802050
ethyl 1-(4-methoxy-6-oxo-1-phenylpyridazine-3-carbonyl)piperidine-4-carboxylate
CID 8553233

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-methoxy-6-oxo-1-phenylpyridine-3-carbonyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(4-methoxy-6-oxo-1-phenylpyridine-3-carbonyl)piperazine-1-carboxylate (CID 126854567) is ethyl 4-(4-methoxy-6-oxo-1-phenylpyridine-3-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(4-methoxy-6-oxo-1-phenylpyridine-3-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(4-methoxy-6-oxo-1-phenylpyridine-3-carbonyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2cn(-c3ccccc3)c(=O)cc2OC)CC1.
What is the InChIKey of ethyl 4-(4-methoxy-6-oxo-1-phenylpyridine-3-carbonyl)piperazine-1-carboxylate?
The InChIKey is DTKAZVLXVJYVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5/c1-3-28-20(26)22-11-9-21(10-12-22)19(25)16-14-23(15-7-5-4-6-8-15)18(24)13-17(16)27-2/h4-8,13-14H,3,9-12H2,1-2H3.
What are the key properties of ethyl 4-(4-methoxy-6-oxo-1-phenylpyridine-3-carbonyl)piperazine-1-carboxylate?
ethyl 4-(4-methoxy-6-oxo-1-phenylpyridine-3-carbonyl)piperazine-1-carboxylate has a molecular weight of 385.42 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-methoxy-6-oxo-1-phenylpyridine-3-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 126854567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).