(1-carbamoyl-3-phenylpiperidin-4-yl) 4,5,6,7-tetramethyl-3-oxo-1,2-dihydroindene-1-carboxylate

C26H30N2O4 — CID 90957144

IUPAC(1-carbamoyl-3-phenylpiperidin-4-yl) 4,5,6,7-tetramethyl-3-oxo-1,2-dihydroindene-1-carboxylate
SMILESCc1c(C)c(C)c2c(c1C)C(=O)CC2C(=O)OC1CCN(C(N)=O)CC1c1ccccc1
InChIInChI=1S/C26H30N2O4/c1-14-15(2)17(4)24-21(29)12-19(23(24)16(14)3)25(30)32-22-10-11-28(26(27)31)13-20(22)18-8-6-5-7-9-18/h5-9,19-20,22H,10-13H2,1-4H3,(H2,27,31)
InChIKeyRLEIXQQQGTWHSA-UHFFFAOYSA-N
MW434.54 g/mol
LogP4.07
Rot. Bonds3

About (1-carbamoyl-3-phenylpiperidin-4-yl) 4,5,6,7-tetramethyl-3-oxo-1,2-dihydroindene-1-carboxylate

(1-carbamoyl-3-phenylpiperidin-4-yl) 4,5,6,7-tetramethyl-3-oxo-1,2-dihydroindene-1-carboxylate (PubChem CID 90957144) has the molecular formula C26H30N2O4 and a molecular weight of 434.54 g/mol. Its IUPAC name is (1-carbamoyl-3-phenylpiperidin-4-yl) 4,5,6,7-tetramethyl-3-oxo-1,2-dihydroindene-1-carboxylate.

Molecular Properties

Compound Name(1-carbamoyl-3-phenylpiperidin-4-yl) 4,5,6,7-tetramethyl-3-oxo-1,2-dihydroindene-1-carboxylate
PubChem CID90957144
Molecular FormulaC26H30N2O4
Molecular Weight434.54 g/mol
Exact Mass434.22
IUPAC Name(1-carbamoyl-3-phenylpiperidin-4-yl) 4,5,6,7-tetramethyl-3-oxo-1,2-dihydroindene-1-carboxylate
SMILESCc1c(C)c(C)c2c(c1C)C(=O)CC2C(=O)OC1CCN(C(N)=O)CC1c1ccccc1
InChIInChI=1S/C26H30N2O4/c1-14-15(2)17(4)24-21(29)12-19(23(24)16(14)3)25(30)32-22-10-11-28(26(27)31)13-20(22)18-8-6-5-7-9-18/h5-9,19-20,22H,10-13H2,1-4H3,(H2,27,31)
InChIKeyRLEIXQQQGTWHSA-UHFFFAOYSA-N
XLogP4.07
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-carbamoyl-3-phenylpiperidin-4-yl) 4,5,6,7-tetramethyl-3-oxo-1,2-dihydroindene-1-carboxylate?
The IUPAC name of (1-carbamoyl-3-phenylpiperidin-4-yl) 4,5,6,7-tetramethyl-3-oxo-1,2-dihydroindene-1-carboxylate (CID 90957144) is (1-carbamoyl-3-phenylpiperidin-4-yl) 4,5,6,7-tetramethyl-3-oxo-1,2-dihydroindene-1-carboxylate.
What is the SMILES notation for (1-carbamoyl-3-phenylpiperidin-4-yl) 4,5,6,7-tetramethyl-3-oxo-1,2-dihydroindene-1-carboxylate?
The canonical SMILES for (1-carbamoyl-3-phenylpiperidin-4-yl) 4,5,6,7-tetramethyl-3-oxo-1,2-dihydroindene-1-carboxylate is Cc1c(C)c(C)c2c(c1C)C(=O)CC2C(=O)OC1CCN(C(N)=O)CC1c1ccccc1.
What is the InChIKey of (1-carbamoyl-3-phenylpiperidin-4-yl) 4,5,6,7-tetramethyl-3-oxo-1,2-dihydroindene-1-carboxylate?
The InChIKey is RLEIXQQQGTWHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4/c1-14-15(2)17(4)24-21(29)12-19(23(24)16(14)3)25(30)32-22-10-11-28(26(27)31)13-20(22)18-8-6-5-7-9-18/h5-9,19-20,22H,10-13H2,1-4H3,(H2,27,31).
What are the key properties of (1-carbamoyl-3-phenylpiperidin-4-yl) 4,5,6,7-tetramethyl-3-oxo-1,2-dihydroindene-1-carboxylate?
(1-carbamoyl-3-phenylpiperidin-4-yl) 4,5,6,7-tetramethyl-3-oxo-1,2-dihydroindene-1-carboxylate has a molecular weight of 434.54 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-carbamoyl-3-phenylpiperidin-4-yl) 4,5,6,7-tetramethyl-3-oxo-1,2-dihydroindene-1-carboxylate is sourced from PubChem (CID 90957144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).