3-(3-chlorophenyl)-3-[[1-(2-methoxyacetyl)piperidine-4-carbonyl]amino]propanoic acid

C18H23ClN2O5 — CID 72888488

IUPAC3-(3-chlorophenyl)-3-[[1-(2-methoxyacetyl)piperidine-4-carbonyl]amino]propanoic acid
SMILESCOCC(=O)N1CCC(C(=O)NC(CC(=O)O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C18H23ClN2O5/c1-26-11-16(22)21-7-5-12(6-8-21)18(25)20-15(10-17(23)24)13-3-2-4-14(19)9-13/h2-4,9,12,15H,5-8,10-11H2,1H3,(H,20,25)(H,23,24)
InChIKeyNDFYBGOCJOEODG-UHFFFAOYSA-N
MW382.84 g/mol
LogP1.86
Rot. Bonds7

About 3-(3-chlorophenyl)-3-[[1-(2-methoxyacetyl)piperidine-4-carbonyl]amino]propanoic acid

3-(3-chlorophenyl)-3-[[1-(2-methoxyacetyl)piperidine-4-carbonyl]amino]propanoic acid (PubChem CID 72888488) has the molecular formula C18H23ClN2O5 and a molecular weight of 382.84 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-3-[[1-(2-methoxyacetyl)piperidine-4-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-(3-chlorophenyl)-3-[[1-(2-methoxyacetyl)piperidine-4-carbonyl]amino]propanoic acid
PubChem CID72888488
Molecular FormulaC18H23ClN2O5
Molecular Weight382.84 g/mol
Exact Mass382.13
IUPAC Name3-(3-chlorophenyl)-3-[[1-(2-methoxyacetyl)piperidine-4-carbonyl]amino]propanoic acid
SMILESCOCC(=O)N1CCC(C(=O)NC(CC(=O)O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C18H23ClN2O5/c1-26-11-16(22)21-7-5-12(6-8-21)18(25)20-15(10-17(23)24)13-3-2-4-14(19)9-13/h2-4,9,12,15H,5-8,10-11H2,1H3,(H,20,25)(H,23,24)
InChIKeyNDFYBGOCJOEODG-UHFFFAOYSA-N
XLogP1.86
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.84
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(3-chlorophenyl)-3-[[1-(2-methoxyacetyl)piperidine-4-carbonyl]amino]propanoic acid with MolForge

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Related Compounds

ethyl 3-(3-methoxyphenyl)-3-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]propanoate
CID 55878992
3-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]butanoic acid
CID 119221159
N-[1-(3-chlorophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 110676816
1-(2-methoxyacetyl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-4-carboxamide
CID 97283398
N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide
CID 91786060
3-[(1-methylpyrrolidine-3-carbonyl)amino]-3-phenylpropanoic acid
CID 60922108
2-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]propanoic acid
CID 119225453
1-[2-(3-chlorophenyl)-2-hydroxyethyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 111487644
3-(butanoylamino)-3-(3-chlorophenyl)propanoic acid
CID 112509587
methyl 3-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]-3-thiophen-2-ylpropanoate
CID 55633003
3-(4-chlorophenyl)-3-(cyclopentanecarbonylamino)propanoic acid
CID 45431108
N-butan-2-yl-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 110673920

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-3-[[1-(2-methoxyacetyl)piperidine-4-carbonyl]amino]propanoic acid?
The IUPAC name of 3-(3-chlorophenyl)-3-[[1-(2-methoxyacetyl)piperidine-4-carbonyl]amino]propanoic acid (CID 72888488) is 3-(3-chlorophenyl)-3-[[1-(2-methoxyacetyl)piperidine-4-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-(3-chlorophenyl)-3-[[1-(2-methoxyacetyl)piperidine-4-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-(3-chlorophenyl)-3-[[1-(2-methoxyacetyl)piperidine-4-carbonyl]amino]propanoic acid is COCC(=O)N1CCC(C(=O)NC(CC(=O)O)c2cccc(Cl)c2)CC1.
What is the InChIKey of 3-(3-chlorophenyl)-3-[[1-(2-methoxyacetyl)piperidine-4-carbonyl]amino]propanoic acid?
The InChIKey is NDFYBGOCJOEODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O5/c1-26-11-16(22)21-7-5-12(6-8-21)18(25)20-15(10-17(23)24)13-3-2-4-14(19)9-13/h2-4,9,12,15H,5-8,10-11H2,1H3,(H,20,25)(H,23,24).
What are the key properties of 3-(3-chlorophenyl)-3-[[1-(2-methoxyacetyl)piperidine-4-carbonyl]amino]propanoic acid?
3-(3-chlorophenyl)-3-[[1-(2-methoxyacetyl)piperidine-4-carbonyl]amino]propanoic acid has a molecular weight of 382.84 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-3-[[1-(2-methoxyacetyl)piperidine-4-carbonyl]amino]propanoic acid is sourced from PubChem (CID 72888488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).