1-(3-piperidin-3-ylpropylamino)propan-2-one

C11H22N2O — CID 19039423

IUPAC1-(3-piperidin-3-ylpropylamino)propan-2-one
SMILESCC(=O)CNCCCC1CCCNC1
InChIInChI=1S/C11H22N2O/c1-10(14)8-12-6-2-4-11-5-3-7-13-9-11/h11-13H,2-9H2,1H3
InChIKeyPTHJYRHZMQNOGL-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.94
Rot. Bonds6

About 1-(3-piperidin-3-ylpropylamino)propan-2-one

1-(3-piperidin-3-ylpropylamino)propan-2-one (PubChem CID 19039423) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-(3-piperidin-3-ylpropylamino)propan-2-one.

Molecular Properties

Compound Name1-(3-piperidin-3-ylpropylamino)propan-2-one
PubChem CID19039423
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-(3-piperidin-3-ylpropylamino)propan-2-one
SMILESCC(=O)CNCCCC1CCCNC1
InChIInChI=1S/C11H22N2O/c1-10(14)8-12-6-2-4-11-5-3-7-13-9-11/h11-13H,2-9H2,1H3
InChIKeyPTHJYRHZMQNOGL-UHFFFAOYSA-N
XLogP0.94
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-piperidin-3-ylpropylamino)propan-2-one?
The IUPAC name of 1-(3-piperidin-3-ylpropylamino)propan-2-one (CID 19039423) is 1-(3-piperidin-3-ylpropylamino)propan-2-one.
What is the SMILES notation for 1-(3-piperidin-3-ylpropylamino)propan-2-one?
The canonical SMILES for 1-(3-piperidin-3-ylpropylamino)propan-2-one is CC(=O)CNCCCC1CCCNC1.
What is the InChIKey of 1-(3-piperidin-3-ylpropylamino)propan-2-one?
The InChIKey is PTHJYRHZMQNOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-10(14)8-12-6-2-4-11-5-3-7-13-9-11/h11-13H,2-9H2,1H3.
What are the key properties of 1-(3-piperidin-3-ylpropylamino)propan-2-one?
1-(3-piperidin-3-ylpropylamino)propan-2-one has a molecular weight of 198.31 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-piperidin-3-ylpropylamino)propan-2-one is sourced from PubChem (CID 19039423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).