ethyl 4-(4-oxo-5-phenylmethoxy-1H-pyridine-2-carbonyl)piperazine-1-carboxylate

C20H23N3O5 — CID 42442424

IUPACethyl 4-(4-oxo-5-phenylmethoxy-1H-pyridine-2-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cc(=O)c(OCc3ccccc3)c[nH]2)CC1
InChIInChI=1S/C20H23N3O5/c1-2-27-20(26)23-10-8-22(9-11-23)19(25)16-12-17(24)18(13-21-16)28-14-15-6-4-3-5-7-15/h3-7,12-13H,2,8-11,14H2,1H3,(H,21,24)
InChIKeyACZWPOWIPYUPCR-UHFFFAOYSA-N
MW385.42 g/mol
LogP1.87
Rot. Bonds5

About ethyl 4-(4-oxo-5-phenylmethoxy-1H-pyridine-2-carbonyl)piperazine-1-carboxylate

ethyl 4-(4-oxo-5-phenylmethoxy-1H-pyridine-2-carbonyl)piperazine-1-carboxylate (PubChem CID 42442424) has the molecular formula C20H23N3O5 and a molecular weight of 385.42 g/mol. Its IUPAC name is ethyl 4-(4-oxo-5-phenylmethoxy-1H-pyridine-2-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-oxo-5-phenylmethoxy-1H-pyridine-2-carbonyl)piperazine-1-carboxylate
PubChem CID42442424
Molecular FormulaC20H23N3O5
Molecular Weight385.42 g/mol
Exact Mass385.16
IUPAC Nameethyl 4-(4-oxo-5-phenylmethoxy-1H-pyridine-2-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cc(=O)c(OCc3ccccc3)c[nH]2)CC1
InChIInChI=1S/C20H23N3O5/c1-2-27-20(26)23-10-8-22(9-11-23)19(25)16-12-17(24)18(13-21-16)28-14-15-6-4-3-5-7-15/h3-7,12-13H,2,8-11,14H2,1H3,(H,21,24)
InChIKeyACZWPOWIPYUPCR-UHFFFAOYSA-N
XLogP1.87
TPSA91.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-oxo-5-phenylmethoxy-1H-pyridine-2-carbonyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(4-oxo-5-phenylmethoxy-1H-pyridine-2-carbonyl)piperazine-1-carboxylate (CID 42442424) is ethyl 4-(4-oxo-5-phenylmethoxy-1H-pyridine-2-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(4-oxo-5-phenylmethoxy-1H-pyridine-2-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(4-oxo-5-phenylmethoxy-1H-pyridine-2-carbonyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2cc(=O)c(OCc3ccccc3)c[nH]2)CC1.
What is the InChIKey of ethyl 4-(4-oxo-5-phenylmethoxy-1H-pyridine-2-carbonyl)piperazine-1-carboxylate?
The InChIKey is ACZWPOWIPYUPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5/c1-2-27-20(26)23-10-8-22(9-11-23)19(25)16-12-17(24)18(13-21-16)28-14-15-6-4-3-5-7-15/h3-7,12-13H,2,8-11,14H2,1H3,(H,21,24).
What are the key properties of ethyl 4-(4-oxo-5-phenylmethoxy-1H-pyridine-2-carbonyl)piperazine-1-carboxylate?
ethyl 4-(4-oxo-5-phenylmethoxy-1H-pyridine-2-carbonyl)piperazine-1-carboxylate has a molecular weight of 385.42 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-oxo-5-phenylmethoxy-1H-pyridine-2-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 42442424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).