2-[1-(2-amino-3-phenylpropanoyl)piperidin-4-yl]acetamide

C16H23N3O2 — CID 60962563

IUPAC2-[1-(2-amino-3-phenylpropanoyl)piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(C(=O)C(N)Cc2ccccc2)CC1
InChIInChI=1S/C16H23N3O2/c17-14(10-12-4-2-1-3-5-12)16(21)19-8-6-13(7-9-19)11-15(18)20/h1-5,13-14H,6-11,17H2,(H2,18,20)
InChIKeyFVBCUVCPHRIOOA-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.67
Rot. Bonds5

About 2-[1-(2-amino-3-phenylpropanoyl)piperidin-4-yl]acetamide

2-[1-(2-amino-3-phenylpropanoyl)piperidin-4-yl]acetamide (PubChem CID 60962563) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[1-(2-amino-3-phenylpropanoyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-(2-amino-3-phenylpropanoyl)piperidin-4-yl]acetamide
PubChem CID60962563
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-[1-(2-amino-3-phenylpropanoyl)piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(C(=O)C(N)Cc2ccccc2)CC1
InChIInChI=1S/C16H23N3O2/c17-14(10-12-4-2-1-3-5-12)16(21)19-8-6-13(7-9-19)11-15(18)20/h1-5,13-14H,6-11,17H2,(H2,18,20)
InChIKeyFVBCUVCPHRIOOA-UHFFFAOYSA-N
XLogP0.67
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3-phenyl-2-sulfanylpropanoyl)piperidin-4-yl]acetamide
CID 107026191
(2R)-2-amino-1-[4-(hydroxymethyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 78985406
2-amino-3-phenyl-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one
CID 119276181
(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
2-amino-1-(3-methylpyrrolidin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119303310
(2S)-2-amino-3-phenyl-1-[(3S)-3-(phenylsulfanylmethyl)pyrrolidin-1-yl]propan-1-one
CID 99849554
1-[[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-4-yl]methyl]piperidin-2-one
CID 99775938
(2S)-2-amino-1-(4-cyclobutylpiperazin-1-yl)-3-phenylpropan-1-one
CID 119887152
2-[1-(3-amino-2-phenylpropanoyl)piperidin-4-yl]acetamide;hydrochloride
CID 119727574

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-amino-3-phenylpropanoyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-(2-amino-3-phenylpropanoyl)piperidin-4-yl]acetamide (CID 60962563) is 2-[1-(2-amino-3-phenylpropanoyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-(2-amino-3-phenylpropanoyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-(2-amino-3-phenylpropanoyl)piperidin-4-yl]acetamide is NC(=O)CC1CCN(C(=O)C(N)Cc2ccccc2)CC1.
What is the InChIKey of 2-[1-(2-amino-3-phenylpropanoyl)piperidin-4-yl]acetamide?
The InChIKey is FVBCUVCPHRIOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c17-14(10-12-4-2-1-3-5-12)16(21)19-8-6-13(7-9-19)11-15(18)20/h1-5,13-14H,6-11,17H2,(H2,18,20).
What are the key properties of 2-[1-(2-amino-3-phenylpropanoyl)piperidin-4-yl]acetamide?
2-[1-(2-amino-3-phenylpropanoyl)piperidin-4-yl]acetamide has a molecular weight of 289.38 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-amino-3-phenylpropanoyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 60962563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).