methyl 2-[(2-piperidin-1-ylacetyl)amino]benzoate

C15H20N2O3 — CID 892472

IUPACmethyl 2-[(2-piperidin-1-ylacetyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CN1CCCCC1
InChIInChI=1S/C15H20N2O3/c1-20-15(19)12-7-3-4-8-13(12)16-14(18)11-17-9-5-2-6-10-17/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,16,18)
InChIKeyOQBMBEXWKJYIFI-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.90
Rot. Bonds4

About methyl 2-[(2-piperidin-1-ylacetyl)amino]benzoate

methyl 2-[(2-piperidin-1-ylacetyl)amino]benzoate (PubChem CID 892472) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is methyl 2-[(2-piperidin-1-ylacetyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2-piperidin-1-ylacetyl)amino]benzoate
PubChem CID892472
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Namemethyl 2-[(2-piperidin-1-ylacetyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CN1CCCCC1
InChIInChI=1S/C15H20N2O3/c1-20-15(19)12-7-3-4-8-13(12)16-14(18)11-17-9-5-2-6-10-17/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,16,18)
InChIKeyOQBMBEXWKJYIFI-UHFFFAOYSA-N
XLogP1.90
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetyl]amino]benzoate
CID 11837383
methyl 2-[[2-(4-formylpiperazin-1-yl)acetyl]amino]benzoate
CID 108995831
methyl 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoate
CID 43406096
methyl 2-[[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]benzoate
CID 8530313
methyl 2-[[2-(2,5-dimethylpyrrol-1-yl)acetyl]amino]benzoate
CID 935456
2-(azepan-1-yl)-N-(2-chlorophenyl)acetamide
CID 2070988
ethyl 2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]benzoate
CID 108995538
methyl 2-[[3-oxo-3-(4-piperidin-1-ylanilino)propanoyl]amino]benzoate
CID 108956300
2-[1-[2-[(2-piperidin-1-ylacetyl)amino]phenyl]ethylideneamino]acetic acid
CID 135012239
methyl 2-[[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]acetyl]amino]benzoate
CID 90085065
methyl 2-[[2-(azepan-1-yl)acetyl]amino]thiophene-3-carboxylate
CID 6471025
methyl 2-methyl-3-[(2-piperazin-1-ylacetyl)amino]benzoate
CID 60850740

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-piperidin-1-ylacetyl)amino]benzoate?
The IUPAC name of methyl 2-[(2-piperidin-1-ylacetyl)amino]benzoate (CID 892472) is methyl 2-[(2-piperidin-1-ylacetyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(2-piperidin-1-ylacetyl)amino]benzoate?
The canonical SMILES for methyl 2-[(2-piperidin-1-ylacetyl)amino]benzoate is COC(=O)c1ccccc1NC(=O)CN1CCCCC1.
What is the InChIKey of methyl 2-[(2-piperidin-1-ylacetyl)amino]benzoate?
The InChIKey is OQBMBEXWKJYIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-20-15(19)12-7-3-4-8-13(12)16-14(18)11-17-9-5-2-6-10-17/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,16,18).
What are the key properties of methyl 2-[(2-piperidin-1-ylacetyl)amino]benzoate?
methyl 2-[(2-piperidin-1-ylacetyl)amino]benzoate has a molecular weight of 276.34 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-piperidin-1-ylacetyl)amino]benzoate is sourced from PubChem (CID 892472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).