1-(4-aminopiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one

C18H27FN4O — CID 119375838

IUPAC1-(4-aminopiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
SMILESCC(C(=O)N1CCC(N)CC1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H27FN4O/c1-14(18(24)23-8-6-16(20)7-9-23)21-10-12-22(13-11-21)17-4-2-15(19)3-5-17/h2-5,14,16H,6-13,20H2,1H3
InChIKeyAUGXGVAZDOGRCP-UHFFFAOYSA-N
MW334.44 g/mol
LogP1.29
Rot. Bonds3

About 1-(4-aminopiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one

1-(4-aminopiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one (PubChem CID 119375838) has the molecular formula C18H27FN4O and a molecular weight of 334.44 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
PubChem CID119375838
Molecular FormulaC18H27FN4O
Molecular Weight334.44 g/mol
Exact Mass334.22
IUPAC Name1-(4-aminopiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
SMILESCC(C(=O)N1CCC(N)CC1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H27FN4O/c1-14(18(24)23-8-6-16(20)7-9-23)21-10-12-22(13-11-21)17-4-2-15(19)3-5-17/h2-5,14,16H,6-13,20H2,1H3
InChIKeyAUGXGVAZDOGRCP-UHFFFAOYSA-N
XLogP1.29
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-aminopiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 119380573
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 78786208
(2S)-1-(4-benzylpiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 9431608
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-hydroxypiperidin-1-yl)propan-1-one
CID 110884135
(3S)-1-[(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]pyrrolidine-3-carboxamide
CID 94461656
(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-1-[4-(2-propan-2-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-one
CID 97237980
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-[4-(2-propan-2-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-one
CID 75386415
N-[1-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]piperidin-4-yl]methanesulfonamide
CID 78842204
1-(4-benzylpiperazin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 17496772
(2R)-2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119827512
(2R)-1,2-bis(4-phenylpiperazin-1-yl)propan-1-one
CID 9250288
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 78897651

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one (CID 119375838) is 1-(4-aminopiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one is CC(C(=O)N1CCC(N)CC1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
The InChIKey is AUGXGVAZDOGRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN4O/c1-14(18(24)23-8-6-16(20)7-9-23)21-10-12-22(13-11-21)17-4-2-15(19)3-5-17/h2-5,14,16H,6-13,20H2,1H3.
What are the key properties of 1-(4-aminopiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
1-(4-aminopiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one has a molecular weight of 334.44 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 119375838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).