1-(3-fluoropiperidin-1-yl)-2-[(1-propan-2-ylpiperidin-4-yl)amino]ethanone

C15H28FN3O — CID 138607828

IUPAC1-(3-fluoropiperidin-1-yl)-2-[(1-propan-2-ylpiperidin-4-yl)amino]ethanone
SMILESCC(C)N1CCC(NCC(=O)N2CCCC(F)C2)CC1
InChIInChI=1S/C15H28FN3O/c1-12(2)18-8-5-14(6-9-18)17-10-15(20)19-7-3-4-13(16)11-19/h12-14,17H,3-11H2,1-2H3
InChIKeyBGHXVKQTXPAHKW-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.41
Rot. Bonds4

About 1-(3-fluoropiperidin-1-yl)-2-[(1-propan-2-ylpiperidin-4-yl)amino]ethanone

1-(3-fluoropiperidin-1-yl)-2-[(1-propan-2-ylpiperidin-4-yl)amino]ethanone (PubChem CID 138607828) has the molecular formula C15H28FN3O and a molecular weight of 285.41 g/mol. Its IUPAC name is 1-(3-fluoropiperidin-1-yl)-2-[(1-propan-2-ylpiperidin-4-yl)amino]ethanone.

Molecular Properties

Compound Name1-(3-fluoropiperidin-1-yl)-2-[(1-propan-2-ylpiperidin-4-yl)amino]ethanone
PubChem CID138607828
Molecular FormulaC15H28FN3O
Molecular Weight285.41 g/mol
Exact Mass285.22
IUPAC Name1-(3-fluoropiperidin-1-yl)-2-[(1-propan-2-ylpiperidin-4-yl)amino]ethanone
SMILESCC(C)N1CCC(NCC(=O)N2CCCC(F)C2)CC1
InChIInChI=1S/C15H28FN3O/c1-12(2)18-8-5-14(6-9-18)17-10-15(20)19-7-3-4-13(16)11-19/h12-14,17H,3-11H2,1-2H3
InChIKeyBGHXVKQTXPAHKW-UHFFFAOYSA-N
XLogP1.41
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropiperidin-1-yl)-2-[(1-propan-2-ylpiperidin-4-yl)amino]ethanone?
The IUPAC name of 1-(3-fluoropiperidin-1-yl)-2-[(1-propan-2-ylpiperidin-4-yl)amino]ethanone (CID 138607828) is 1-(3-fluoropiperidin-1-yl)-2-[(1-propan-2-ylpiperidin-4-yl)amino]ethanone.
What is the SMILES notation for 1-(3-fluoropiperidin-1-yl)-2-[(1-propan-2-ylpiperidin-4-yl)amino]ethanone?
The canonical SMILES for 1-(3-fluoropiperidin-1-yl)-2-[(1-propan-2-ylpiperidin-4-yl)amino]ethanone is CC(C)N1CCC(NCC(=O)N2CCCC(F)C2)CC1.
What is the InChIKey of 1-(3-fluoropiperidin-1-yl)-2-[(1-propan-2-ylpiperidin-4-yl)amino]ethanone?
The InChIKey is BGHXVKQTXPAHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28FN3O/c1-12(2)18-8-5-14(6-9-18)17-10-15(20)19-7-3-4-13(16)11-19/h12-14,17H,3-11H2,1-2H3.
What are the key properties of 1-(3-fluoropiperidin-1-yl)-2-[(1-propan-2-ylpiperidin-4-yl)amino]ethanone?
1-(3-fluoropiperidin-1-yl)-2-[(1-propan-2-ylpiperidin-4-yl)amino]ethanone has a molecular weight of 285.41 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropiperidin-1-yl)-2-[(1-propan-2-ylpiperidin-4-yl)amino]ethanone is sourced from PubChem (CID 138607828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).