3-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]butanoic acid

C18H24N2O5 — CID 119221159

IUPAC3-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)C1CCN(C(=O)COc2ccccc2)CC1
InChIInChI=1S/C18H24N2O5/c1-13(11-17(22)23)19-18(24)14-7-9-20(10-8-14)16(21)12-25-15-5-3-2-4-6-15/h2-6,13-14H,7-12H2,1H3,(H,19,24)(H,22,23)
InChIKeyHYFGUZXYTOFVNC-UHFFFAOYSA-N
MW348.40 g/mol
LogP1.28
Rot. Bonds7

About 3-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]butanoic acid

3-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]butanoic acid (PubChem CID 119221159) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is 3-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name3-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]butanoic acid
PubChem CID119221159
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Name3-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)C1CCN(C(=O)COc2ccccc2)CC1
InChIInChI=1S/C18H24N2O5/c1-13(11-17(22)23)19-18(24)14-7-9-20(10-8-14)16(21)12-25-15-5-3-2-4-6-15/h2-6,13-14H,7-12H2,1H3,(H,19,24)(H,22,23)
InChIKeyHYFGUZXYTOFVNC-UHFFFAOYSA-N
XLogP1.28
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 110673920
2-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]propanoic acid
CID 119225453
3-[[1-(2-phenoxyacetyl)piperidine-3-carbonyl]amino]butanoic acid
CID 119347944
N-(4-acetamidophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631454
methyl 3-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]-3-thiophen-2-ylpropanoate
CID 55633003
1-(2-phenoxyacetyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 55635182
1-[4-(1-aminoethyl)piperidin-1-yl]-2-phenoxyethanone;hydrochloride
CID 119517204
N-(2-amino-2-phenylethyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide;hydrochloride
CID 119528943
N-[(2S)-3-methylbutan-2-yl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 94521670
N-(3-methoxypropyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 113003301
1-[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone
CID 55630806
N-(4-fluorophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631357

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]butanoic acid?
The IUPAC name of 3-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]butanoic acid (CID 119221159) is 3-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]butanoic acid.
What is the SMILES notation for 3-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]butanoic acid?
The canonical SMILES for 3-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]butanoic acid is CC(CC(=O)O)NC(=O)C1CCN(C(=O)COc2ccccc2)CC1.
What is the InChIKey of 3-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]butanoic acid?
The InChIKey is HYFGUZXYTOFVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-13(11-17(22)23)19-18(24)14-7-9-20(10-8-14)16(21)12-25-15-5-3-2-4-6-15/h2-6,13-14H,7-12H2,1H3,(H,19,24)(H,22,23).
What are the key properties of 3-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]butanoic acid?
3-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]butanoic acid has a molecular weight of 348.40 g/mol, XLogP of 1.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]butanoic acid is sourced from PubChem (CID 119221159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).