1-[(2S)-2-amino-3-phenylpropanoyl]piperidine-4-carbonitrile

C15H19N3O — CID 57253914

IUPAC1-[(2S)-2-amino-3-phenylpropanoyl]piperidine-4-carbonitrile
SMILESN#CC1CCN(C(=O)[C@@H](N)Cc2ccccc2)CC1
InChIInChI=1S/C15H19N3O/c16-11-13-6-8-18(9-7-13)15(19)14(17)10-12-4-2-1-3-5-12/h1-5,13-14H,6-10,17H2/t14-/m0/s1
InChIKeyAYJGPBHHGZXBBA-AWEZNQCLSA-N
MW257.34 g/mol
LogP1.32
Rot. Bonds3

About 1-[(2S)-2-amino-3-phenylpropanoyl]piperidine-4-carbonitrile

1-[(2S)-2-amino-3-phenylpropanoyl]piperidine-4-carbonitrile (PubChem CID 57253914) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-[(2S)-2-amino-3-phenylpropanoyl]piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[(2S)-2-amino-3-phenylpropanoyl]piperidine-4-carbonitrile
PubChem CID57253914
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-[(2S)-2-amino-3-phenylpropanoyl]piperidine-4-carbonitrile
SMILESN#CC1CCN(C(=O)[C@@H](N)Cc2ccccc2)CC1
InChIInChI=1S/C15H19N3O/c16-11-13-6-8-18(9-7-13)15(19)14(17)10-12-4-2-1-3-5-12/h1-5,13-14H,6-10,17H2/t14-/m0/s1
InChIKeyAYJGPBHHGZXBBA-AWEZNQCLSA-N
XLogP1.32
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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
2-amino-3-phenyl-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one
CID 119276181
(2S)-2-amino-3-phenyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
CID 119842941
(2S)-2-amino-1-(4-ethenylpiperidin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119323399
2-amino-1-(3-methylpyrrolidin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119303310
(2S)-2-amino-1-(4-cyclobutylpiperazin-1-yl)-3-phenylpropan-1-one
CID 119887152
1-(2-phenylacetyl)piperidine-4-carbonitrile
CID 39247378
(2S)-2-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 2087046
(2S)-2-amino-1-(4-oxidopiperazin-1-yl)-3-phenylpropan-1-one
CID 88677274
(2S)-2-amino-1-(4-ethylazepan-1-yl)-3-phenylpropan-1-one
CID 78992748
N-[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-4-yl]cyclopropanecarboxamide
CID 119278106

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-amino-3-phenylpropanoyl]piperidine-4-carbonitrile?
The IUPAC name of 1-[(2S)-2-amino-3-phenylpropanoyl]piperidine-4-carbonitrile (CID 57253914) is 1-[(2S)-2-amino-3-phenylpropanoyl]piperidine-4-carbonitrile.
What is the SMILES notation for 1-[(2S)-2-amino-3-phenylpropanoyl]piperidine-4-carbonitrile?
The canonical SMILES for 1-[(2S)-2-amino-3-phenylpropanoyl]piperidine-4-carbonitrile is N#CC1CCN(C(=O)[C@@H](N)Cc2ccccc2)CC1.
What is the InChIKey of 1-[(2S)-2-amino-3-phenylpropanoyl]piperidine-4-carbonitrile?
The InChIKey is AYJGPBHHGZXBBA-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H19N3O/c16-11-13-6-8-18(9-7-13)15(19)14(17)10-12-4-2-1-3-5-12/h1-5,13-14H,6-10,17H2/t14-/m0/s1.
What are the key properties of 1-[(2S)-2-amino-3-phenylpropanoyl]piperidine-4-carbonitrile?
1-[(2S)-2-amino-3-phenylpropanoyl]piperidine-4-carbonitrile has a molecular weight of 257.34 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-amino-3-phenylpropanoyl]piperidine-4-carbonitrile is sourced from PubChem (CID 57253914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).