1-(4-piperidin-3-ylbutylamino)propan-2-one

C12H24N2O — CID 19804223

IUPAC1-(4-piperidin-3-ylbutylamino)propan-2-one
SMILESCC(=O)CNCCCCC1CCCNC1
InChIInChI=1S/C12H24N2O/c1-11(15)9-13-7-3-2-5-12-6-4-8-14-10-12/h12-14H,2-10H2,1H3
InChIKeyHCPCMZWRQWHRBI-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.33
Rot. Bonds7

About 1-(4-piperidin-3-ylbutylamino)propan-2-one

1-(4-piperidin-3-ylbutylamino)propan-2-one (PubChem CID 19804223) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-(4-piperidin-3-ylbutylamino)propan-2-one.

Molecular Properties

Compound Name1-(4-piperidin-3-ylbutylamino)propan-2-one
PubChem CID19804223
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-(4-piperidin-3-ylbutylamino)propan-2-one
SMILESCC(=O)CNCCCCC1CCCNC1
InChIInChI=1S/C12H24N2O/c1-11(15)9-13-7-3-2-5-12-6-4-8-14-10-12/h12-14H,2-10H2,1H3
InChIKeyHCPCMZWRQWHRBI-UHFFFAOYSA-N
XLogP1.33
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.33
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-(4-piperidin-3-ylbutylamino)propan-2-one?
The IUPAC name of 1-(4-piperidin-3-ylbutylamino)propan-2-one (CID 19804223) is 1-(4-piperidin-3-ylbutylamino)propan-2-one.
What is the SMILES notation for 1-(4-piperidin-3-ylbutylamino)propan-2-one?
The canonical SMILES for 1-(4-piperidin-3-ylbutylamino)propan-2-one is CC(=O)CNCCCCC1CCCNC1.
What is the InChIKey of 1-(4-piperidin-3-ylbutylamino)propan-2-one?
The InChIKey is HCPCMZWRQWHRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-11(15)9-13-7-3-2-5-12-6-4-8-14-10-12/h12-14H,2-10H2,1H3.
What are the key properties of 1-(4-piperidin-3-ylbutylamino)propan-2-one?
1-(4-piperidin-3-ylbutylamino)propan-2-one has a molecular weight of 212.34 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-piperidin-3-ylbutylamino)propan-2-one is sourced from PubChem (CID 19804223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).