4-[5-[(3-chlorophenyl)methoxy]-4-oxo-1H-pyridine-2-carbonyl]piperazin-2-one

C17H16ClN3O4 — CID 52903063

IUPAC4-[5-[(3-chlorophenyl)methoxy]-4-oxo-1H-pyridine-2-carbonyl]piperazin-2-one
SMILESO=C1CN(C(=O)c2cc(=O)c(OCc3cccc(Cl)c3)c[nH]2)CCN1
InChIInChI=1S/C17H16ClN3O4/c18-12-3-1-2-11(6-12)10-25-15-8-20-13(7-14(15)22)17(24)21-5-4-19-16(23)9-21/h1-3,6-8H,4-5,9-10H2,(H,19,23)(H,20,22)
InChIKeyASASNIGGHOGSOM-UHFFFAOYSA-N
MW361.79 g/mol
LogP1.18
Rot. Bonds4

About 4-[5-[(3-chlorophenyl)methoxy]-4-oxo-1H-pyridine-2-carbonyl]piperazin-2-one

4-[5-[(3-chlorophenyl)methoxy]-4-oxo-1H-pyridine-2-carbonyl]piperazin-2-one (PubChem CID 52903063) has the molecular formula C17H16ClN3O4 and a molecular weight of 361.79 g/mol. Its IUPAC name is 4-[5-[(3-chlorophenyl)methoxy]-4-oxo-1H-pyridine-2-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name4-[5-[(3-chlorophenyl)methoxy]-4-oxo-1H-pyridine-2-carbonyl]piperazin-2-one
PubChem CID52903063
Molecular FormulaC17H16ClN3O4
Molecular Weight361.79 g/mol
Exact Mass361.08
IUPAC Name4-[5-[(3-chlorophenyl)methoxy]-4-oxo-1H-pyridine-2-carbonyl]piperazin-2-one
SMILESO=C1CN(C(=O)c2cc(=O)c(OCc3cccc(Cl)c3)c[nH]2)CCN1
InChIInChI=1S/C17H16ClN3O4/c18-12-3-1-2-11(6-12)10-25-15-8-20-13(7-14(15)22)17(24)21-5-4-19-16(23)9-21/h1-3,6-8H,4-5,9-10H2,(H,19,23)(H,20,22)
InChIKeyASASNIGGHOGSOM-UHFFFAOYSA-N
XLogP1.18
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.79
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[(3-chlorophenyl)methoxy]-4-oxo-1H-pyridine-2-carbonyl]piperazin-2-one?
The IUPAC name of 4-[5-[(3-chlorophenyl)methoxy]-4-oxo-1H-pyridine-2-carbonyl]piperazin-2-one (CID 52903063) is 4-[5-[(3-chlorophenyl)methoxy]-4-oxo-1H-pyridine-2-carbonyl]piperazin-2-one.
What is the SMILES notation for 4-[5-[(3-chlorophenyl)methoxy]-4-oxo-1H-pyridine-2-carbonyl]piperazin-2-one?
The canonical SMILES for 4-[5-[(3-chlorophenyl)methoxy]-4-oxo-1H-pyridine-2-carbonyl]piperazin-2-one is O=C1CN(C(=O)c2cc(=O)c(OCc3cccc(Cl)c3)c[nH]2)CCN1.
What is the InChIKey of 4-[5-[(3-chlorophenyl)methoxy]-4-oxo-1H-pyridine-2-carbonyl]piperazin-2-one?
The InChIKey is ASASNIGGHOGSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O4/c18-12-3-1-2-11(6-12)10-25-15-8-20-13(7-14(15)22)17(24)21-5-4-19-16(23)9-21/h1-3,6-8H,4-5,9-10H2,(H,19,23)(H,20,22).
What are the key properties of 4-[5-[(3-chlorophenyl)methoxy]-4-oxo-1H-pyridine-2-carbonyl]piperazin-2-one?
4-[5-[(3-chlorophenyl)methoxy]-4-oxo-1H-pyridine-2-carbonyl]piperazin-2-one has a molecular weight of 361.79 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(3-chlorophenyl)methoxy]-4-oxo-1H-pyridine-2-carbonyl]piperazin-2-one is sourced from PubChem (CID 52903063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).