methyl 1-[2-[(2-phenoxyacetyl)amino]acetyl]piperidine-4-carboxylate

C17H22N2O5 — CID 51166518

IUPACmethyl 1-[2-[(2-phenoxyacetyl)amino]acetyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)CNC(=O)COc2ccccc2)CC1
InChIInChI=1S/C17H22N2O5/c1-23-17(22)13-7-9-19(10-8-13)16(21)11-18-15(20)12-24-14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3,(H,18,20)
InChIKeyDJDOSEQMNMFVFI-UHFFFAOYSA-N
MW334.37 g/mol
LogP0.59
Rot. Bonds6

About methyl 1-[2-[(2-phenoxyacetyl)amino]acetyl]piperidine-4-carboxylate

methyl 1-[2-[(2-phenoxyacetyl)amino]acetyl]piperidine-4-carboxylate (PubChem CID 51166518) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is methyl 1-[2-[(2-phenoxyacetyl)amino]acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-[(2-phenoxyacetyl)amino]acetyl]piperidine-4-carboxylate
PubChem CID51166518
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Namemethyl 1-[2-[(2-phenoxyacetyl)amino]acetyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)CNC(=O)COc2ccccc2)CC1
InChIInChI=1S/C17H22N2O5/c1-23-17(22)13-7-9-19(10-8-13)16(21)11-18-15(20)12-24-14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3,(H,18,20)
InChIKeyDJDOSEQMNMFVFI-UHFFFAOYSA-N
XLogP0.59
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-[2-[(2-phenylacetyl)amino]acetyl]piperidine-4-carboxylate
CID 51166527
N-[2-[4-[2-hydroxyethyl(methyl)amino]piperidin-1-yl]-2-oxoethyl]-2-phenoxyacetamide
CID 75448434
N-[1-[2-[(2-phenoxyacetyl)amino]acetyl]piperidin-4-yl]benzamide
CID 17432373
N-(2-oxo-2-piperazin-1-ylethyl)-2-phenoxyacetamide
CID 28708779
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-phenoxyacetamide
CID 7779440
N-(2-oxo-2-piperazin-1-ylethyl)-2-phenoxyacetamide;hydrochloride
CID 119402544
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-phenoxyacetamide
CID 7494425
4-hydroxy-1-[2-[(2-phenoxyacetyl)amino]acetyl]piperidine-4-carboxylic acid
CID 120528193
methyl 1-[2-(4-propylphenoxy)acetyl]piperidine-4-carboxylate
CID 108754998
N-[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-2-phenoxyacetamide
CID 17460898
methyl 1-(3-phenoxypropanoyl)pyrrolidine-3-carboxylate
CID 84581076
1-[2-[(2-phenoxyacetyl)amino]acetyl]pyrrolidine-2-carboxylic acid
CID 119356620

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-[(2-phenoxyacetyl)amino]acetyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[2-[(2-phenoxyacetyl)amino]acetyl]piperidine-4-carboxylate (CID 51166518) is methyl 1-[2-[(2-phenoxyacetyl)amino]acetyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[2-[(2-phenoxyacetyl)amino]acetyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[2-[(2-phenoxyacetyl)amino]acetyl]piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)CNC(=O)COc2ccccc2)CC1.
What is the InChIKey of methyl 1-[2-[(2-phenoxyacetyl)amino]acetyl]piperidine-4-carboxylate?
The InChIKey is DJDOSEQMNMFVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5/c1-23-17(22)13-7-9-19(10-8-13)16(21)11-18-15(20)12-24-14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3,(H,18,20).
What are the key properties of methyl 1-[2-[(2-phenoxyacetyl)amino]acetyl]piperidine-4-carboxylate?
methyl 1-[2-[(2-phenoxyacetyl)amino]acetyl]piperidine-4-carboxylate has a molecular weight of 334.37 g/mol, XLogP of 0.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-[(2-phenoxyacetyl)amino]acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 51166518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).