(2S)-2-amino-3-phenyl-1-(2-propylpiperidin-1-yl)propan-1-one

C17H26N2O — CID 83053177

IUPAC(2S)-2-amino-3-phenyl-1-(2-propylpiperidin-1-yl)propan-1-one
SMILESCCCC1CCCCN1C(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C17H26N2O/c1-2-8-15-11-6-7-12-19(15)17(20)16(18)13-14-9-4-3-5-10-14/h3-5,9-10,15-16H,2,6-8,11-13,18H2,1H3/t15?,16-/m0/s1
InChIKeyPBOYMYUHLALXKC-LYKKTTPLSA-N
MW274.41 g/mol
LogP2.74
Rot. Bonds5

About (2S)-2-amino-3-phenyl-1-(2-propylpiperidin-1-yl)propan-1-one

(2S)-2-amino-3-phenyl-1-(2-propylpiperidin-1-yl)propan-1-one (PubChem CID 83053177) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is (2S)-2-amino-3-phenyl-1-(2-propylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-3-phenyl-1-(2-propylpiperidin-1-yl)propan-1-one
PubChem CID83053177
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name(2S)-2-amino-3-phenyl-1-(2-propylpiperidin-1-yl)propan-1-one
SMILESCCCC1CCCCN1C(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C17H26N2O/c1-2-8-15-11-6-7-12-19(15)17(20)16(18)13-14-9-4-3-5-10-14/h3-5,9-10,15-16H,2,6-8,11-13,18H2,1H3/t15?,16-/m0/s1
InChIKeyPBOYMYUHLALXKC-LYKKTTPLSA-N
XLogP2.74
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 62478502
(2R)-2-amino-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 107218086
2-amino-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 62889985
1-[(2S)-2-amino-3-phenylpropanoyl]-N-methylpiperidine-2-carboxamide
CID 61163933
1-(2-amino-3-phenylpropanoyl)-4-propylpiperidine-2-carboxylic acid
CID 18446235
phenyl-(2-propylpiperidin-1-yl)methanone
CID 16637839
2-amino-1-(2-benzylpyrrolidin-1-yl)hexan-1-one
CID 60938876
methyl 1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carboxylate
CID 61163138
4-amino-4-phenyl-1-(2-propylpiperidin-1-yl)butan-1-one
CID 83052689
2-amino-1-(2-azabicyclo[4.1.0]heptan-2-yl)-3-phenylpropan-1-one
CID 117045939
1-[(2S)-2-amino-3-phenylpropanoyl]-N-methylpyrrolidine-2-carboxamide
CID 61164772
2-amino-3-(4-hydroxyphenyl)-1-(2-methylazepan-1-yl)propan-1-one
CID 77020980

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-phenyl-1-(2-propylpiperidin-1-yl)propan-1-one?
The IUPAC name of (2S)-2-amino-3-phenyl-1-(2-propylpiperidin-1-yl)propan-1-one (CID 83053177) is (2S)-2-amino-3-phenyl-1-(2-propylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for (2S)-2-amino-3-phenyl-1-(2-propylpiperidin-1-yl)propan-1-one?
The canonical SMILES for (2S)-2-amino-3-phenyl-1-(2-propylpiperidin-1-yl)propan-1-one is CCCC1CCCCN1C(=O)[C@@H](N)Cc1ccccc1.
What is the InChIKey of (2S)-2-amino-3-phenyl-1-(2-propylpiperidin-1-yl)propan-1-one?
The InChIKey is PBOYMYUHLALXKC-LYKKTTPLSA-N. The full InChI is InChI=1S/C17H26N2O/c1-2-8-15-11-6-7-12-19(15)17(20)16(18)13-14-9-4-3-5-10-14/h3-5,9-10,15-16H,2,6-8,11-13,18H2,1H3/t15?,16-/m0/s1.
What are the key properties of (2S)-2-amino-3-phenyl-1-(2-propylpiperidin-1-yl)propan-1-one?
(2S)-2-amino-3-phenyl-1-(2-propylpiperidin-1-yl)propan-1-one has a molecular weight of 274.41 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-phenyl-1-(2-propylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 83053177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).