3-[1-[2-(1-naphthalen-1-ylethylamino)-2-oxoethyl]piperidin-3-yl]propanoic acid

C22H28N2O3 — CID 122101268

IUPAC3-[1-[2-(1-naphthalen-1-ylethylamino)-2-oxoethyl]piperidin-3-yl]propanoic acid
SMILESCC(NC(=O)CN1CCCC(CCC(=O)O)C1)c1cccc2ccccc12
InChIInChI=1S/C22H28N2O3/c1-16(19-10-4-8-18-7-2-3-9-20(18)19)23-21(25)15-24-13-5-6-17(14-24)11-12-22(26)27/h2-4,7-10,16-17H,5-6,11-15H2,1H3,(H,23,25)(H,26,27)
InChIKeyYPKZYHGLBIBKNG-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.59
Rot. Bonds7

About 3-[1-[2-(1-naphthalen-1-ylethylamino)-2-oxoethyl]piperidin-3-yl]propanoic acid

3-[1-[2-(1-naphthalen-1-ylethylamino)-2-oxoethyl]piperidin-3-yl]propanoic acid (PubChem CID 122101268) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 3-[1-[2-(1-naphthalen-1-ylethylamino)-2-oxoethyl]piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[2-(1-naphthalen-1-ylethylamino)-2-oxoethyl]piperidin-3-yl]propanoic acid
PubChem CID122101268
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name3-[1-[2-(1-naphthalen-1-ylethylamino)-2-oxoethyl]piperidin-3-yl]propanoic acid
SMILESCC(NC(=O)CN1CCCC(CCC(=O)O)C1)c1cccc2ccccc12
InChIInChI=1S/C22H28N2O3/c1-16(19-10-4-8-18-7-2-3-9-20(18)19)23-21(25)15-24-13-5-6-17(14-24)11-12-22(26)27/h2-4,7-10,16-17H,5-6,11-15H2,1H3,(H,23,25)(H,26,27)
InChIKeyYPKZYHGLBIBKNG-UHFFFAOYSA-N
XLogP3.59
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S)-3-methylpiperidin-1-yl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide
CID 51730374
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(1-naphthalen-1-ylethyl)acetamide
CID 111442554
3-[1-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]piperidin-3-yl]propanoic acid
CID 122101339
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide
CID 41104934
3-[1-[2-(2-benzylanilino)-2-oxoethyl]piperidin-3-yl]propanoic acid
CID 122101341
3-[1-[2-[2-(2,6-dimethylphenoxy)ethylamino]-2-oxoethyl]piperidin-3-yl]propanoic acid
CID 122101119
2-(cyclopropylmethylamino)-N-(1-naphthalen-1-ylethyl)acetamide;hydrochloride
CID 119687005
1-(1-naphthalen-1-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 15920376
N-[(1R)-1-naphthalen-1-ylethyl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 11929315
N-(1-naphthalen-1-ylethyl)propanamide
CID 13202765
2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-(1-naphthalen-1-ylethyl)acetamide
CID 60525714
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(1-phenylethyl)acetamide;hydrochloride
CID 119918090

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(1-naphthalen-1-ylethylamino)-2-oxoethyl]piperidin-3-yl]propanoic acid?
The IUPAC name of 3-[1-[2-(1-naphthalen-1-ylethylamino)-2-oxoethyl]piperidin-3-yl]propanoic acid (CID 122101268) is 3-[1-[2-(1-naphthalen-1-ylethylamino)-2-oxoethyl]piperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-[2-(1-naphthalen-1-ylethylamino)-2-oxoethyl]piperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[1-[2-(1-naphthalen-1-ylethylamino)-2-oxoethyl]piperidin-3-yl]propanoic acid is CC(NC(=O)CN1CCCC(CCC(=O)O)C1)c1cccc2ccccc12.
What is the InChIKey of 3-[1-[2-(1-naphthalen-1-ylethylamino)-2-oxoethyl]piperidin-3-yl]propanoic acid?
The InChIKey is YPKZYHGLBIBKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-16(19-10-4-8-18-7-2-3-9-20(18)19)23-21(25)15-24-13-5-6-17(14-24)11-12-22(26)27/h2-4,7-10,16-17H,5-6,11-15H2,1H3,(H,23,25)(H,26,27).
What are the key properties of 3-[1-[2-(1-naphthalen-1-ylethylamino)-2-oxoethyl]piperidin-3-yl]propanoic acid?
3-[1-[2-(1-naphthalen-1-ylethylamino)-2-oxoethyl]piperidin-3-yl]propanoic acid has a molecular weight of 368.48 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(1-naphthalen-1-ylethylamino)-2-oxoethyl]piperidin-3-yl]propanoic acid is sourced from PubChem (CID 122101268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).