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

C31H34N2O2 — CID 56679097

IUPAC3-phenacyl-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
SMILESO=C(Cc1cccc(C(=O)N[C@@H]2CCCc3cc(CN4CCCCC4)ccc32)c1)c1ccccc1
InChIInChI=1S/C31H34N2O2/c34-30(25-10-3-1-4-11-25)21-23-9-7-13-27(19-23)31(35)32-29-14-8-12-26-20-24(15-16-28(26)29)22-33-17-5-2-6-18-33/h1,3-4,7,9-11,13,15-16,19-20,29H,2,5-6,8,12,14,17-18,21-22H2,(H,32,35)/t29-/m1/s1
InChIKeyQWJNKDQOILOZTF-GDLZYMKVSA-N
MW466.63 g/mol
LogP5.91
Rot. Bonds7

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

3-phenacyl-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide (PubChem CID 56679097) has the molecular formula C31H34N2O2 and a molecular weight of 466.63 g/mol. Its IUPAC name is 3-phenacyl-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide.

Molecular Properties

Compound Name3-phenacyl-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
PubChem CID56679097
Molecular FormulaC31H34N2O2
Molecular Weight466.63 g/mol
Exact Mass466.26
IUPAC Name3-phenacyl-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
SMILESO=C(Cc1cccc(C(=O)N[C@@H]2CCCc3cc(CN4CCCCC4)ccc32)c1)c1ccccc1
InChIInChI=1S/C31H34N2O2/c34-30(25-10-3-1-4-11-25)21-23-9-7-13-27(19-23)31(35)32-29-14-8-12-26-20-24(15-16-28(26)29)22-33-17-5-2-6-18-33/h1,3-4,7,9-11,13,15-16,19-20,29H,2,5-6,8,12,14,17-18,21-22H2,(H,32,35)/t29-/m1/s1
InChIKeyQWJNKDQOILOZTF-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 3-phenacyl-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The IUPAC name of 3-phenacyl-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide (CID 56679097) is 3-phenacyl-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide.
What is the SMILES notation for 3-phenacyl-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The canonical SMILES for 3-phenacyl-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide is O=C(Cc1cccc(C(=O)N[C@@H]2CCCc3cc(CN4CCCCC4)ccc32)c1)c1ccccc1.
What is the InChIKey of 3-phenacyl-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The InChIKey is QWJNKDQOILOZTF-GDLZYMKVSA-N. The full InChI is InChI=1S/C31H34N2O2/c34-30(25-10-3-1-4-11-25)21-23-9-7-13-27(19-23)31(35)32-29-14-8-12-26-20-24(15-16-28(26)29)22-33-17-5-2-6-18-33/h1,3-4,7,9-11,13,15-16,19-20,29H,2,5-6,8,12,14,17-18,21-22H2,(H,32,35)/t29-/m1/s1.
What are the key properties of 3-phenacyl-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
3-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 3-phenacyl-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide is sourced from PubChem (CID 56679097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).