1-(4-aminopiperidin-1-yl)-2-(4-phenylphenoxy)propan-1-one

C20H24N2O2 — CID 119376748

IUPAC1-(4-aminopiperidin-1-yl)-2-(4-phenylphenoxy)propan-1-one
SMILESCC(Oc1ccc(-c2ccccc2)cc1)C(=O)N1CCC(N)CC1
InChIInChI=1S/C20H24N2O2/c1-15(20(23)22-13-11-18(21)12-14-22)24-19-9-7-17(8-10-19)16-5-3-2-4-6-16/h2-10,15,18H,11-14,21H2,1H3
InChIKeyRYWLYECYJKDATK-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.07
Rot. Bonds4

About 1-(4-aminopiperidin-1-yl)-2-(4-phenylphenoxy)propan-1-one

1-(4-aminopiperidin-1-yl)-2-(4-phenylphenoxy)propan-1-one (PubChem CID 119376748) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-2-(4-phenylphenoxy)propan-1-one.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-2-(4-phenylphenoxy)propan-1-one
PubChem CID119376748
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name1-(4-aminopiperidin-1-yl)-2-(4-phenylphenoxy)propan-1-one
SMILESCC(Oc1ccc(-c2ccccc2)cc1)C(=O)N1CCC(N)CC1
InChIInChI=1S/C20H24N2O2/c1-15(20(23)22-13-11-18(21)12-14-22)24-19-9-7-17(8-10-19)16-5-3-2-4-6-16/h2-10,15,18H,11-14,21H2,1H3
InChIKeyRYWLYECYJKDATK-UHFFFAOYSA-N
XLogP3.07
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-hydroxypiperidin-1-yl)-2-(4-phenylphenoxy)propan-1-one
CID 110888002
1-[4-(methylamino)piperidin-1-yl]-2-(4-phenylphenoxy)propan-1-one;hydrochloride
CID 119563868
2-(4-phenylphenoxy)-1-[4-[2-(4-phenylphenoxy)propanoyl]-1,4-diazepan-1-yl]propan-1-one
CID 4981282
1-(4-aminopiperidin-1-yl)-2-(4-ethylphenoxy)propan-1-one
CID 82043331
(2S)-1-morpholin-4-yl-2-(4-phenylphenoxy)propan-1-one
CID 734825
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(4-phenylphenoxy)propan-1-one
CID 119639248
(2R)-1-(4-methylpiperidin-1-yl)-2-phenoxypropan-1-one
CID 670229
1-[4-(1-aminoethyl)piperidin-1-yl]-2-phenoxypropan-1-one
CID 119520564
1-(4-aminopiperidin-1-yl)-2-(3-chlorophenoxy)propan-1-one
CID 55037082
1-morpholin-4-yl-2-[4-[2-(4-phenylphenoxy)propanoyl]piperazin-1-yl]ethane-1,2-dione
CID 55607691
2-(4-phenylphenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 17249391
1-[3-(methylaminomethyl)piperidin-1-yl]-2-(4-phenylphenoxy)propan-1-one
CID 119398780

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-2-(4-phenylphenoxy)propan-1-one?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-2-(4-phenylphenoxy)propan-1-one (CID 119376748) is 1-(4-aminopiperidin-1-yl)-2-(4-phenylphenoxy)propan-1-one.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-2-(4-phenylphenoxy)propan-1-one?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-2-(4-phenylphenoxy)propan-1-one is CC(Oc1ccc(-c2ccccc2)cc1)C(=O)N1CCC(N)CC1.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-2-(4-phenylphenoxy)propan-1-one?
The InChIKey is RYWLYECYJKDATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-15(20(23)22-13-11-18(21)12-14-22)24-19-9-7-17(8-10-19)16-5-3-2-4-6-16/h2-10,15,18H,11-14,21H2,1H3.
What are the key properties of 1-(4-aminopiperidin-1-yl)-2-(4-phenylphenoxy)propan-1-one?
1-(4-aminopiperidin-1-yl)-2-(4-phenylphenoxy)propan-1-one has a molecular weight of 324.42 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperidin-1-yl)-2-(4-phenylphenoxy)propan-1-one is sourced from PubChem (CID 119376748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).