(1-carbamoyl-3-phenylpiperidin-4-yl) 6-methoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylate

C24H28N2O4 — CID 90930404

IUPAC(1-carbamoyl-3-phenylpiperidin-4-yl) 6-methoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylate
SMILESCOc1ccc2c(c1)CCCC2C(=O)OC1CCN(C(N)=O)CC1c1ccccc1
InChIInChI=1S/C24H28N2O4/c1-29-18-10-11-19-17(14-18)8-5-9-20(19)23(27)30-22-12-13-26(24(25)28)15-21(22)16-6-3-2-4-7-16/h2-4,6-7,10-11,14,20-22H,5,8-9,12-13,15H2,1H3,(H2,25,28)
InChIKeyIWRZXROUXFGKJK-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.60
Rot. Bonds4

About (1-carbamoyl-3-phenylpiperidin-4-yl) 6-methoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylate

(1-carbamoyl-3-phenylpiperidin-4-yl) 6-methoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylate (PubChem CID 90930404) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is (1-carbamoyl-3-phenylpiperidin-4-yl) 6-methoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylate.

Molecular Properties

Compound Name(1-carbamoyl-3-phenylpiperidin-4-yl) 6-methoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylate
PubChem CID90930404
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name(1-carbamoyl-3-phenylpiperidin-4-yl) 6-methoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylate
SMILESCOc1ccc2c(c1)CCCC2C(=O)OC1CCN(C(N)=O)CC1c1ccccc1
InChIInChI=1S/C24H28N2O4/c1-29-18-10-11-19-17(14-18)8-5-9-20(19)23(27)30-22-12-13-26(24(25)28)15-21(22)16-6-3-2-4-7-16/h2-4,6-7,10-11,14,20-22H,5,8-9,12-13,15H2,1H3,(H2,25,28)
InChIKeyIWRZXROUXFGKJK-UHFFFAOYSA-N
XLogP3.60
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.60
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) 6-methoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylate?
The IUPAC name of (1-carbamoyl-3-phenylpiperidin-4-yl) 6-methoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylate (CID 90930404) is (1-carbamoyl-3-phenylpiperidin-4-yl) 6-methoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylate.
What is the SMILES notation for (1-carbamoyl-3-phenylpiperidin-4-yl) 6-methoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylate?
The canonical SMILES for (1-carbamoyl-3-phenylpiperidin-4-yl) 6-methoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylate is COc1ccc2c(c1)CCCC2C(=O)OC1CCN(C(N)=O)CC1c1ccccc1.
What is the InChIKey of (1-carbamoyl-3-phenylpiperidin-4-yl) 6-methoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylate?
The InChIKey is IWRZXROUXFGKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-29-18-10-11-19-17(14-18)8-5-9-20(19)23(27)30-22-12-13-26(24(25)28)15-21(22)16-6-3-2-4-7-16/h2-4,6-7,10-11,14,20-22H,5,8-9,12-13,15H2,1H3,(H2,25,28).
What are the key properties of (1-carbamoyl-3-phenylpiperidin-4-yl) 6-methoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylate?
(1-carbamoyl-3-phenylpiperidin-4-yl) 6-methoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylate has a molecular weight of 408.50 g/mol, XLogP of 3.60, 4 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) 6-methoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylate is sourced from PubChem (CID 90930404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).