5-(4-amino-3-propan-2-yloxyanilino)piperidin-2-one

C14H21N3O2 — CID 83002885

IUPAC5-(4-amino-3-propan-2-yloxyanilino)piperidin-2-one
SMILESCC(C)Oc1cc(NC2CCC(=O)NC2)ccc1N
InChIInChI=1S/C14H21N3O2/c1-9(2)19-13-7-10(3-5-12(13)15)17-11-4-6-14(18)16-8-11/h3,5,7,9,11,17H,4,6,8,15H2,1-2H3,(H,16,18)
InChIKeyCYKYZLVYOUDPBU-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.75
Rot. Bonds4

About 5-(4-amino-3-propan-2-yloxyanilino)piperidin-2-one

5-(4-amino-3-propan-2-yloxyanilino)piperidin-2-one (PubChem CID 83002885) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-(4-amino-3-propan-2-yloxyanilino)piperidin-2-one.

Molecular Properties

Compound Name5-(4-amino-3-propan-2-yloxyanilino)piperidin-2-one
PubChem CID83002885
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name5-(4-amino-3-propan-2-yloxyanilino)piperidin-2-one
SMILESCC(C)Oc1cc(NC2CCC(=O)NC2)ccc1N
InChIInChI=1S/C14H21N3O2/c1-9(2)19-13-7-10(3-5-12(13)15)17-11-4-6-14(18)16-8-11/h3,5,7,9,11,17H,4,6,8,15H2,1-2H3,(H,16,18)
InChIKeyCYKYZLVYOUDPBU-UHFFFAOYSA-N
XLogP1.75
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-3-propan-2-yloxyanilino)piperidin-2-one?
The IUPAC name of 5-(4-amino-3-propan-2-yloxyanilino)piperidin-2-one (CID 83002885) is 5-(4-amino-3-propan-2-yloxyanilino)piperidin-2-one.
What is the SMILES notation for 5-(4-amino-3-propan-2-yloxyanilino)piperidin-2-one?
The canonical SMILES for 5-(4-amino-3-propan-2-yloxyanilino)piperidin-2-one is CC(C)Oc1cc(NC2CCC(=O)NC2)ccc1N.
What is the InChIKey of 5-(4-amino-3-propan-2-yloxyanilino)piperidin-2-one?
The InChIKey is CYKYZLVYOUDPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-9(2)19-13-7-10(3-5-12(13)15)17-11-4-6-14(18)16-8-11/h3,5,7,9,11,17H,4,6,8,15H2,1-2H3,(H,16,18).
What are the key properties of 5-(4-amino-3-propan-2-yloxyanilino)piperidin-2-one?
5-(4-amino-3-propan-2-yloxyanilino)piperidin-2-one has a molecular weight of 263.34 g/mol, XLogP of 1.75, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-3-propan-2-yloxyanilino)piperidin-2-one is sourced from PubChem (CID 83002885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).