1-[1-(2-amino-4-methoxyphenyl)piperidin-4-yl]imidazolidin-2-one

C15H22N4O2 — CID 89310720

IUPAC1-[1-(2-amino-4-methoxyphenyl)piperidin-4-yl]imidazolidin-2-one
SMILESCOc1ccc(N2CCC(N3CCNC3=O)CC2)c(N)c1
InChIInChI=1S/C15H22N4O2/c1-21-12-2-3-14(13(16)10-12)18-7-4-11(5-8-18)19-9-6-17-15(19)20/h2-3,10-11H,4-9,16H2,1H3,(H,17,20)
InChIKeyQCOOYZYFJUKGLP-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.27
Rot. Bonds3

About 1-[1-(2-amino-4-methoxyphenyl)piperidin-4-yl]imidazolidin-2-one

1-[1-(2-amino-4-methoxyphenyl)piperidin-4-yl]imidazolidin-2-one (PubChem CID 89310720) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-[1-(2-amino-4-methoxyphenyl)piperidin-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-(2-amino-4-methoxyphenyl)piperidin-4-yl]imidazolidin-2-one
PubChem CID89310720
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name1-[1-(2-amino-4-methoxyphenyl)piperidin-4-yl]imidazolidin-2-one
SMILESCOc1ccc(N2CCC(N3CCNC3=O)CC2)c(N)c1
InChIInChI=1S/C15H22N4O2/c1-21-12-2-3-14(13(16)10-12)18-7-4-11(5-8-18)19-9-6-17-15(19)20/h2-3,10-11H,4-9,16H2,1H3,(H,17,20)
InChIKeyQCOOYZYFJUKGLP-UHFFFAOYSA-N
XLogP1.27
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-amino-4-methoxyphenyl)piperidin-4-yl]imidazolidin-2-one?
The IUPAC name of 1-[1-(2-amino-4-methoxyphenyl)piperidin-4-yl]imidazolidin-2-one (CID 89310720) is 1-[1-(2-amino-4-methoxyphenyl)piperidin-4-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-(2-amino-4-methoxyphenyl)piperidin-4-yl]imidazolidin-2-one?
The canonical SMILES for 1-[1-(2-amino-4-methoxyphenyl)piperidin-4-yl]imidazolidin-2-one is COc1ccc(N2CCC(N3CCNC3=O)CC2)c(N)c1.
What is the InChIKey of 1-[1-(2-amino-4-methoxyphenyl)piperidin-4-yl]imidazolidin-2-one?
The InChIKey is QCOOYZYFJUKGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-21-12-2-3-14(13(16)10-12)18-7-4-11(5-8-18)19-9-6-17-15(19)20/h2-3,10-11H,4-9,16H2,1H3,(H,17,20).
What are the key properties of 1-[1-(2-amino-4-methoxyphenyl)piperidin-4-yl]imidazolidin-2-one?
1-[1-(2-amino-4-methoxyphenyl)piperidin-4-yl]imidazolidin-2-one has a molecular weight of 290.37 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-amino-4-methoxyphenyl)piperidin-4-yl]imidazolidin-2-one is sourced from PubChem (CID 89310720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).