1-(4-aminopiperidin-1-yl)-3,3-diphenylpropan-1-one

C20H24N2O — CID 28804060

IUPAC1-(4-aminopiperidin-1-yl)-3,3-diphenylpropan-1-one
SMILESNC1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C20H24N2O/c21-18-11-13-22(14-12-18)20(23)15-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,18-19H,11-15,21H2
InChIKeyJIIUASXZGRAWBC-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.16
Rot. Bonds4

About 1-(4-aminopiperidin-1-yl)-3,3-diphenylpropan-1-one

1-(4-aminopiperidin-1-yl)-3,3-diphenylpropan-1-one (PubChem CID 28804060) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-3,3-diphenylpropan-1-one.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-3,3-diphenylpropan-1-one
PubChem CID28804060
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name1-(4-aminopiperidin-1-yl)-3,3-diphenylpropan-1-one
SMILESNC1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C20H24N2O/c21-18-11-13-22(14-12-18)20(23)15-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,18-19H,11-15,21H2
InChIKeyJIIUASXZGRAWBC-UHFFFAOYSA-N
XLogP3.16
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-aminopiperidin-1-yl)-3-phenylbutan-1-one
CID 72638559
1-[4-(methylamino)piperidin-1-yl]-3,3-diphenylpropan-1-one
CID 119563055
1-(3-aminopiperidin-1-yl)-3,3-diphenylpropan-1-one;hydrochloride
CID 119380726
N-[3-(4-aminopiperidin-1-yl)-3-oxo-1-phenylpropyl]benzamide;hydrochloride
CID 119374484
1-[(3R)-3-aminopyrrolidin-1-yl]-4,4,4-trifluoro-3-phenylbutan-1-one
CID 119411236
3,3-diphenyl-1-(4-pyrimidin-2-yloxypiperidin-1-yl)propan-1-one
CID 90558733
1-(4-benzhydrylpiperazin-1-yl)-3,3-diphenylpropan-1-one;hydrochloride
CID 119057587
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3,3-diphenylpropan-1-one
CID 7322462
1-[3-(2-chlorophenyl)-3-phenylpropanoyl]piperidine-4-carboxamide
CID 45204131
1-[(3R)-3-aminopyrrolidin-1-yl]-3,4-diphenylbutan-1-one;hydrochloride
CID 119411312
(3R)-3-(2-hydroxyphenyl)-1-[4-[(3R)-3-(2-hydroxyphenyl)-3-phenylpropanoyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 98044350
(3R)-1-(4-hydroxypiperidin-1-yl)-3-(2-methylphenyl)-3-phenylpropan-1-one
CID 25279572

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-3,3-diphenylpropan-1-one?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-3,3-diphenylpropan-1-one (CID 28804060) is 1-(4-aminopiperidin-1-yl)-3,3-diphenylpropan-1-one.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-3,3-diphenylpropan-1-one?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-3,3-diphenylpropan-1-one is NC1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-3,3-diphenylpropan-1-one?
The InChIKey is JIIUASXZGRAWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c21-18-11-13-22(14-12-18)20(23)15-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,18-19H,11-15,21H2.
What are the key properties of 1-(4-aminopiperidin-1-yl)-3,3-diphenylpropan-1-one?
1-(4-aminopiperidin-1-yl)-3,3-diphenylpropan-1-one has a molecular weight of 308.43 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperidin-1-yl)-3,3-diphenylpropan-1-one is sourced from PubChem (CID 28804060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).