(5R,6S)-5-hydroxy-N-phenyl-6-[2-(4-phenylpiperidin-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C30H34N2O2 — CID 54418523

IUPAC(5R,6S)-5-hydroxy-N-phenyl-6-[2-(4-phenylpiperidin-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc2c(c1)CC[C@@H](CCN1CCC(c3ccccc3)CC1)[C@H]2O
InChIInChI=1S/C30H34N2O2/c33-29-24(17-20-32-18-15-23(16-19-32)22-7-3-1-4-8-22)11-12-25-21-26(13-14-28(25)29)30(34)31-27-9-5-2-6-10-27/h1-10,13-14,21,23-24,29,33H,11-12,15-20H2,(H,31,34)/t24-,29+/m0/s1
InChIKeyVZDLJQWXSTYEOR-PWUYWRBVSA-N
MW454.61 g/mol
LogP5.80
Rot. Bonds6

About (5R,6S)-5-hydroxy-N-phenyl-6-[2-(4-phenylpiperidin-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

(5R,6S)-5-hydroxy-N-phenyl-6-[2-(4-phenylpiperidin-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 54418523) has the molecular formula C30H34N2O2 and a molecular weight of 454.61 g/mol. Its IUPAC name is (5R,6S)-5-hydroxy-N-phenyl-6-[2-(4-phenylpiperidin-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound Name(5R,6S)-5-hydroxy-N-phenyl-6-[2-(4-phenylpiperidin-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID54418523
Molecular FormulaC30H34N2O2
Molecular Weight454.61 g/mol
Exact Mass454.26
IUPAC Name(5R,6S)-5-hydroxy-N-phenyl-6-[2-(4-phenylpiperidin-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc2c(c1)CC[C@@H](CCN1CCC(c3ccccc3)CC1)[C@H]2O
InChIInChI=1S/C30H34N2O2/c33-29-24(17-20-32-18-15-23(16-19-32)22-7-3-1-4-8-22)11-12-25-21-26(13-14-28(25)29)30(34)31-27-9-5-2-6-10-27/h1-10,13-14,21,23-24,29,33H,11-12,15-20H2,(H,31,34)/t24-,29+/m0/s1
InChIKeyVZDLJQWXSTYEOR-PWUYWRBVSA-N
XLogP5.80
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.61
LogP ≤ 55.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R,6S)-5-hydroxy-N-phenyl-6-[2-(4-phenylpiperidin-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of (5R,6S)-5-hydroxy-N-phenyl-6-[2-(4-phenylpiperidin-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 54418523) is (5R,6S)-5-hydroxy-N-phenyl-6-[2-(4-phenylpiperidin-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for (5R,6S)-5-hydroxy-N-phenyl-6-[2-(4-phenylpiperidin-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for (5R,6S)-5-hydroxy-N-phenyl-6-[2-(4-phenylpiperidin-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is O=C(Nc1ccccc1)c1ccc2c(c1)CC[C@@H](CCN1CCC(c3ccccc3)CC1)[C@H]2O.
What is the InChIKey of (5R,6S)-5-hydroxy-N-phenyl-6-[2-(4-phenylpiperidin-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is VZDLJQWXSTYEOR-PWUYWRBVSA-N. The full InChI is InChI=1S/C30H34N2O2/c33-29-24(17-20-32-18-15-23(16-19-32)22-7-3-1-4-8-22)11-12-25-21-26(13-14-28(25)29)30(34)31-27-9-5-2-6-10-27/h1-10,13-14,21,23-24,29,33H,11-12,15-20H2,(H,31,34)/t24-,29+/m0/s1.
What are the key properties of (5R,6S)-5-hydroxy-N-phenyl-6-[2-(4-phenylpiperidin-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
(5R,6S)-5-hydroxy-N-phenyl-6-[2-(4-phenylpiperidin-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 454.61 g/mol, XLogP of 5.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-5-hydroxy-N-phenyl-6-[2-(4-phenylpiperidin-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 54418523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).