4-phenacyl-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide

C31H34N2O2 — CID 56658544

IUPAC4-phenacyl-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
SMILESO=C(Cc1ccc(C(=O)N[C@@H]2CCCc3cc(CN4CCCCC4)ccc32)cc1)c1ccccc1
InChIInChI=1S/C31H34N2O2/c34-30(25-8-3-1-4-9-25)21-23-12-15-26(16-13-23)31(35)32-29-11-7-10-27-20-24(14-17-28(27)29)22-33-18-5-2-6-19-33/h1,3-4,8-9,12-17,20,29H,2,5-7,10-11,18-19,21-22H2,(H,32,35)/t29-/m1/s1
InChIKeyDTBLEIJDLCGKOO-GDLZYMKVSA-N
MW466.63 g/mol
LogP5.91
Rot. Bonds7

About 4-phenacyl-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide

4-phenacyl-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide (PubChem CID 56658544) has the molecular formula C31H34N2O2 and a molecular weight of 466.63 g/mol. Its IUPAC name is 4-phenacyl-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide.

Molecular Properties

Compound Name4-phenacyl-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
PubChem CID56658544
Molecular FormulaC31H34N2O2
Molecular Weight466.63 g/mol
Exact Mass466.26
IUPAC Name4-phenacyl-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
SMILESO=C(Cc1ccc(C(=O)N[C@@H]2CCCc3cc(CN4CCCCC4)ccc32)cc1)c1ccccc1
InChIInChI=1S/C31H34N2O2/c34-30(25-8-3-1-4-9-25)21-23-12-15-26(16-13-23)31(35)32-29-11-7-10-27-20-24(14-17-28(27)29)22-33-18-5-2-6-19-33/h1,3-4,8-9,12-17,20,29H,2,5-7,10-11,18-19,21-22H2,(H,32,35)/t29-/m1/s1
InChIKeyDTBLEIJDLCGKOO-GDLZYMKVSA-N
XLogP5.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.63
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-phenacyl-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The IUPAC name of 4-phenacyl-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide (CID 56658544) is 4-phenacyl-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide.
What is the SMILES notation for 4-phenacyl-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The canonical SMILES for 4-phenacyl-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide is O=C(Cc1ccc(C(=O)N[C@@H]2CCCc3cc(CN4CCCCC4)ccc32)cc1)c1ccccc1.
What is the InChIKey of 4-phenacyl-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The InChIKey is DTBLEIJDLCGKOO-GDLZYMKVSA-N. The full InChI is InChI=1S/C31H34N2O2/c34-30(25-8-3-1-4-9-25)21-23-12-15-26(16-13-23)31(35)32-29-11-7-10-27-20-24(14-17-28(27)29)22-33-18-5-2-6-19-33/h1,3-4,8-9,12-17,20,29H,2,5-7,10-11,18-19,21-22H2,(H,32,35)/t29-/m1/s1.
What are the key properties of 4-phenacyl-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
4-phenacyl-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide has a molecular weight of 466.63 g/mol, XLogP of 5.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenacyl-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide is sourced from PubChem (CID 56658544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).