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

C22H28N2O — CID 119276181

IUPAC2-amino-3-phenyl-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one
SMILESNC(Cc1ccccc1)C(=O)N1CCC(CCc2ccccc2)CC1
InChIInChI=1S/C22H28N2O/c23-21(17-20-9-5-2-6-10-20)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
InChIKeyAHMCYECPCVLVMQ-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.43
Rot. Bonds6

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

2-amino-3-phenyl-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one (PubChem CID 119276181) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is 2-amino-3-phenyl-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-amino-3-phenyl-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one
PubChem CID119276181
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name2-amino-3-phenyl-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one
SMILESNC(Cc1ccccc1)C(=O)N1CCC(CCc2ccccc2)CC1
InChIInChI=1S/C22H28N2O/c23-21(17-20-9-5-2-6-10-20)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
InChIKeyAHMCYECPCVLVMQ-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-1-[4-(hydroxymethyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 78985406
2-[1-(2-amino-3-phenylpropanoyl)piperidin-4-yl]acetamide
CID 60962563
(2R)-2-amino-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119276186
(2S)-2-amino-1-(4-ethylazepan-1-yl)-3-phenylpropan-1-one
CID 78992748
1-[(2S)-2-amino-3-phenylpropanoyl]piperidine-4-carbonitrile
CID 57253914
(2S)-2-amino-1-(4-ethenylpiperidin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119323399
(2S)-2-amino-3-phenyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
CID 119842941
(2S)-2-amino-1-[4-(2-fluoroethyl)piperidin-1-yl]-3-(4-hydroxyphenyl)propan-1-one
CID 70065985
2-methylsulfonyl-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one
CID 47039161
2-amino-1-(3-methylpyrrolidin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119303310
2-amino-3-(4-hydroxyphenyl)-1-(4-propylpiperidin-1-yl)propan-1-one
CID 76937313
3-amino-3-phenyl-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one
CID 119949251

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-phenyl-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 2-amino-3-phenyl-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one (CID 119276181) is 2-amino-3-phenyl-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-amino-3-phenyl-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-amino-3-phenyl-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one is NC(Cc1ccccc1)C(=O)N1CCC(CCc2ccccc2)CC1.
What is the InChIKey of 2-amino-3-phenyl-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one?
The InChIKey is AHMCYECPCVLVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c23-21(17-20-9-5-2-6-10-20)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 2-amino-3-phenyl-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one?
2-amino-3-phenyl-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one has a molecular weight of 336.48 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-phenyl-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 119276181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).