methyl 1-[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]-4-phenylpiperidine-4-carboxylate

C26H30N2O4 — CID 56540269

IUPACmethyl 1-[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]-4-phenylpiperidine-4-carboxylate
SMILESCOC(=O)C1(c2ccccc2)CCN(C(=O)C(c2ccccc2)N2CCCCC2=O)CC1
InChIInChI=1S/C26H30N2O4/c1-32-25(31)26(21-12-6-3-7-13-21)15-18-27(19-16-26)24(30)23(20-10-4-2-5-11-20)28-17-9-8-14-22(28)29/h2-7,10-13,23H,8-9,14-19H2,1H3
InChIKeyJAVMAQSAXCDPQY-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.47
Rot. Bonds5

About methyl 1-[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]-4-phenylpiperidine-4-carboxylate

methyl 1-[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]-4-phenylpiperidine-4-carboxylate (PubChem CID 56540269) has the molecular formula C26H30N2O4 and a molecular weight of 434.54 g/mol. Its IUPAC name is methyl 1-[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]-4-phenylpiperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]-4-phenylpiperidine-4-carboxylate
PubChem CID56540269
Molecular FormulaC26H30N2O4
Molecular Weight434.54 g/mol
Exact Mass434.22
IUPAC Namemethyl 1-[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]-4-phenylpiperidine-4-carboxylate
SMILESCOC(=O)C1(c2ccccc2)CCN(C(=O)C(c2ccccc2)N2CCCCC2=O)CC1
InChIInChI=1S/C26H30N2O4/c1-32-25(31)26(21-12-6-3-7-13-21)15-18-27(19-16-26)24(30)23(20-10-4-2-5-11-20)28-17-9-8-14-22(28)29/h2-7,10-13,23H,8-9,14-19H2,1H3
InChIKeyJAVMAQSAXCDPQY-UHFFFAOYSA-N
XLogP3.47
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]-4-phenylpiperidine-4-carboxylate?
The IUPAC name of methyl 1-[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]-4-phenylpiperidine-4-carboxylate (CID 56540269) is methyl 1-[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]-4-phenylpiperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]-4-phenylpiperidine-4-carboxylate?
The canonical SMILES for methyl 1-[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]-4-phenylpiperidine-4-carboxylate is COC(=O)C1(c2ccccc2)CCN(C(=O)C(c2ccccc2)N2CCCCC2=O)CC1.
What is the InChIKey of methyl 1-[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]-4-phenylpiperidine-4-carboxylate?
The InChIKey is JAVMAQSAXCDPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4/c1-32-25(31)26(21-12-6-3-7-13-21)15-18-27(19-16-26)24(30)23(20-10-4-2-5-11-20)28-17-9-8-14-22(28)29/h2-7,10-13,23H,8-9,14-19H2,1H3.
What are the key properties of methyl 1-[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]-4-phenylpiperidine-4-carboxylate?
methyl 1-[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]-4-phenylpiperidine-4-carboxylate has a molecular weight of 434.54 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]-4-phenylpiperidine-4-carboxylate is sourced from PubChem (CID 56540269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).