3-amino-3-phenyl-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one

C22H28N2O — CID 119949251

IUPAC3-amino-3-phenyl-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one
SMILESNC(CC(=O)N1CCC(CCc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C22H28N2O/c23-21(20-9-5-2-6-10-20)17-22(25)24-15-13-19(14-16-24)12-11-18-7-3-1-4-8-18/h1-10,19,21H,11-17,23H2
InChIKeyDYVLTUOJARXDLD-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.95
Rot. Bonds6

About 3-amino-3-phenyl-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one

3-amino-3-phenyl-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one (PubChem CID 119949251) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is 3-amino-3-phenyl-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-amino-3-phenyl-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one
PubChem CID119949251
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name3-amino-3-phenyl-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one
SMILESNC(CC(=O)N1CCC(CCc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C22H28N2O/c23-21(20-9-5-2-6-10-20)17-22(25)24-15-13-19(14-16-24)12-11-18-7-3-1-4-8-18/h1-10,19,21H,11-17,23H2
InChIKeyDYVLTUOJARXDLD-UHFFFAOYSA-N
XLogP3.95
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-3-phenyl-1-(3-propylpyrrolidin-1-yl)propan-1-one
CID 112702989
cyclopropyl-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 86914488
2-amino-3-phenyl-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one
CID 119276181
(2R)-2-amino-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119276186
3-amino-1-(3-hydroxypyrrolidin-1-yl)-3-phenylpropan-1-one
CID 62941753
3-amino-1-(4-benzoylpiperidin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119949267
3-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 24701184
N-[1-(3-amino-3-phenylpropanoyl)piperidin-4-yl]benzamide
CID 119949242
4-(3-amino-3-phenylpropanoyl)piperazine-1-sulfonamide
CID 61041324
3-amino-3-phenyl-1-thiomorpholin-4-ylpropan-1-one;hydrochloride
CID 71897861
1-(4-aminopiperidin-1-yl)-3,3-diphenylpropan-1-one
CID 28804060
2-[1-(3,4-diphenylbutanoyl)piperidin-4-yl]acetic acid
CID 119178891

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-phenyl-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-amino-3-phenyl-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one (CID 119949251) is 3-amino-3-phenyl-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-amino-3-phenyl-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-amino-3-phenyl-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one is NC(CC(=O)N1CCC(CCc2ccccc2)CC1)c1ccccc1.
What is the InChIKey of 3-amino-3-phenyl-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one?
The InChIKey is DYVLTUOJARXDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c23-21(20-9-5-2-6-10-20)17-22(25)24-15-13-19(14-16-24)12-11-18-7-3-1-4-8-18/h1-10,19,21H,11-17,23H2.
What are the key properties of 3-amino-3-phenyl-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one?
3-amino-3-phenyl-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one has a molecular weight of 336.48 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-phenyl-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 119949251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).