1-(3-amino-4-propoxybenzoyl)piperidin-4-one

C15H20N2O3 — CID 110498188

IUPAC1-(3-amino-4-propoxybenzoyl)piperidin-4-one
SMILESCCCOc1ccc(C(=O)N2CCC(=O)CC2)cc1N
InChIInChI=1S/C15H20N2O3/c1-2-9-20-14-4-3-11(10-13(14)16)15(19)17-7-5-12(18)6-8-17/h3-4,10H,2,5-9,16H2,1H3
InChIKeyJXWOKQATFJCTLQ-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.86
Rot. Bonds4

About 1-(3-amino-4-propoxybenzoyl)piperidin-4-one

1-(3-amino-4-propoxybenzoyl)piperidin-4-one (PubChem CID 110498188) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-(3-amino-4-propoxybenzoyl)piperidin-4-one.

Molecular Properties

Compound Name1-(3-amino-4-propoxybenzoyl)piperidin-4-one
PubChem CID110498188
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-(3-amino-4-propoxybenzoyl)piperidin-4-one
SMILESCCCOc1ccc(C(=O)N2CCC(=O)CC2)cc1N
InChIInChI=1S/C15H20N2O3/c1-2-9-20-14-4-3-11(10-13(14)16)15(19)17-7-5-12(18)6-8-17/h3-4,10H,2,5-9,16H2,1H3
InChIKeyJXWOKQATFJCTLQ-UHFFFAOYSA-N
XLogP1.86
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
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 1-(3-amino-4-propoxybenzoyl)piperidin-4-one?
The IUPAC name of 1-(3-amino-4-propoxybenzoyl)piperidin-4-one (CID 110498188) is 1-(3-amino-4-propoxybenzoyl)piperidin-4-one.
What is the SMILES notation for 1-(3-amino-4-propoxybenzoyl)piperidin-4-one?
The canonical SMILES for 1-(3-amino-4-propoxybenzoyl)piperidin-4-one is CCCOc1ccc(C(=O)N2CCC(=O)CC2)cc1N.
What is the InChIKey of 1-(3-amino-4-propoxybenzoyl)piperidin-4-one?
The InChIKey is JXWOKQATFJCTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-2-9-20-14-4-3-11(10-13(14)16)15(19)17-7-5-12(18)6-8-17/h3-4,10H,2,5-9,16H2,1H3.
What are the key properties of 1-(3-amino-4-propoxybenzoyl)piperidin-4-one?
1-(3-amino-4-propoxybenzoyl)piperidin-4-one has a molecular weight of 276.34 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-propoxybenzoyl)piperidin-4-one is sourced from PubChem (CID 110498188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).