1-[4-[(1-butan-2-yl-4-fluoropiperidin-4-yl)methyl]piperazin-1-yl]propan-1-one

C17H32FN3O — CID 166113225

IUPAC1-[4-[(1-butan-2-yl-4-fluoropiperidin-4-yl)methyl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(CC2(F)CCN(C(C)CC)CC2)CC1
InChIInChI=1S/C17H32FN3O/c1-4-15(3)20-8-6-17(18,7-9-20)14-19-10-12-21(13-11-19)16(22)5-2/h15H,4-14H2,1-3H3
InChIKeyFEDRELZIRRRSBU-UHFFFAOYSA-N
MW313.46 g/mol
LogP2.14
Rot. Bonds5

About 1-[4-[(1-butan-2-yl-4-fluoropiperidin-4-yl)methyl]piperazin-1-yl]propan-1-one

1-[4-[(1-butan-2-yl-4-fluoropiperidin-4-yl)methyl]piperazin-1-yl]propan-1-one (PubChem CID 166113225) has the molecular formula C17H32FN3O and a molecular weight of 313.46 g/mol. Its IUPAC name is 1-[4-[(1-butan-2-yl-4-fluoropiperidin-4-yl)methyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[(1-butan-2-yl-4-fluoropiperidin-4-yl)methyl]piperazin-1-yl]propan-1-one
PubChem CID166113225
Molecular FormulaC17H32FN3O
Molecular Weight313.46 g/mol
Exact Mass313.25
IUPAC Name1-[4-[(1-butan-2-yl-4-fluoropiperidin-4-yl)methyl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(CC2(F)CCN(C(C)CC)CC2)CC1
InChIInChI=1S/C17H32FN3O/c1-4-15(3)20-8-6-17(18,7-9-20)14-19-10-12-21(13-11-19)16(22)5-2/h15H,4-14H2,1-3H3
InChIKeyFEDRELZIRRRSBU-UHFFFAOYSA-N
XLogP2.14
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.46
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-[(1-butan-2-yl-4-fluoropiperidin-4-yl)methyl]piperazin-1-yl]propan-1-one with MolForge

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Related Compounds

N-[(3S)-1-(3-methylbutanoyl)piperidin-3-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 164632263
N-[(3S)-1-(2-ethylbutanoyl)piperidin-3-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 164636914
1-(1-Tert-butyl-4-fluoropiperidin-3-yl)piperidin-2-one
CID 67034860
1-[4-(4-Ethylpiperidin-1-yl)piperidin-1-yl]-2,2-difluoropropan-1-one
CID 117617389
4-[[4-(2-Methylpropanoyl)piperazin-1-yl]methyl]piperidine-1-carbonyl fluoride
CID 156707491
1-[4-Fluoro-4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]butan-1-one
CID 166113245
1-[4-[(4-Fluoro-1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone
CID 166113747
1-[4-[(4-Fluoro-1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 166113748
N-[5-[2-[4-acetyl-3-(trifluoromethyl)piperazin-1-yl]propyl]-1-propan-2-ylpiperidin-3-yl]-N-methylacetamide
CID 170264284
1-[4-Fluoro-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one
CID 172114649
1-[4-[(4-Fluoro-1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]-2-methylpropan-1-one
CID 172114702
1-[4-Fluoro-4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one
CID 172114728

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1-butan-2-yl-4-fluoropiperidin-4-yl)methyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[(1-butan-2-yl-4-fluoropiperidin-4-yl)methyl]piperazin-1-yl]propan-1-one (CID 166113225) is 1-[4-[(1-butan-2-yl-4-fluoropiperidin-4-yl)methyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[(1-butan-2-yl-4-fluoropiperidin-4-yl)methyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[(1-butan-2-yl-4-fluoropiperidin-4-yl)methyl]piperazin-1-yl]propan-1-one is CCC(=O)N1CCN(CC2(F)CCN(C(C)CC)CC2)CC1.
What is the InChIKey of 1-[4-[(1-butan-2-yl-4-fluoropiperidin-4-yl)methyl]piperazin-1-yl]propan-1-one?
The InChIKey is FEDRELZIRRRSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32FN3O/c1-4-15(3)20-8-6-17(18,7-9-20)14-19-10-12-21(13-11-19)16(22)5-2/h15H,4-14H2,1-3H3.
What are the key properties of 1-[4-[(1-butan-2-yl-4-fluoropiperidin-4-yl)methyl]piperazin-1-yl]propan-1-one?
1-[4-[(1-butan-2-yl-4-fluoropiperidin-4-yl)methyl]piperazin-1-yl]propan-1-one has a molecular weight of 313.46 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1-butan-2-yl-4-fluoropiperidin-4-yl)methyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 166113225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).