N-[[1-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidin-4-yl]methyl]-N-phenylpropanamide

C26H34N2O2 — CID 122189398

IUPACN-[[1-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidin-4-yl]methyl]-N-phenylpropanamide
SMILESCCC(=O)N(CC1CCN(Cc2ccc3c(c2)CCC[C@@H]3O)CC1)c1ccccc1
InChIInChI=1S/C26H34N2O2/c1-2-26(30)28(23-8-4-3-5-9-23)19-20-13-15-27(16-14-20)18-21-11-12-24-22(17-21)7-6-10-25(24)29/h3-5,8-9,11-12,17,20,25,29H,2,6-7,10,13-16,18-19H2,1H3/t25-/m0/s1
InChIKeyMTYYLZNJETVGMC-VWLOTQADSA-N
MW406.57 g/mol
LogP4.71
Rot. Bonds6

About N-[[1-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidin-4-yl]methyl]-N-phenylpropanamide

N-[[1-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidin-4-yl]methyl]-N-phenylpropanamide (PubChem CID 122189398) has the molecular formula C26H34N2O2 and a molecular weight of 406.57 g/mol. Its IUPAC name is N-[[1-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidin-4-yl]methyl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-[[1-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidin-4-yl]methyl]-N-phenylpropanamide
PubChem CID122189398
Molecular FormulaC26H34N2O2
Molecular Weight406.57 g/mol
Exact Mass406.26
IUPAC NameN-[[1-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidin-4-yl]methyl]-N-phenylpropanamide
SMILESCCC(=O)N(CC1CCN(Cc2ccc3c(c2)CCC[C@@H]3O)CC1)c1ccccc1
InChIInChI=1S/C26H34N2O2/c1-2-26(30)28(23-8-4-3-5-9-23)19-20-13-15-27(16-14-20)18-21-11-12-24-22(17-21)7-6-10-25(24)29/h3-5,8-9,11-12,17,20,25,29H,2,6-7,10,13-16,18-19H2,1H3/t25-/m0/s1
InChIKeyMTYYLZNJETVGMC-VWLOTQADSA-N
XLogP4.71
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidin-4-yl]methyl]-N-phenylpropanamide?
The IUPAC name of N-[[1-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidin-4-yl]methyl]-N-phenylpropanamide (CID 122189398) is N-[[1-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidin-4-yl]methyl]-N-phenylpropanamide.
What is the SMILES notation for N-[[1-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidin-4-yl]methyl]-N-phenylpropanamide?
The canonical SMILES for N-[[1-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidin-4-yl]methyl]-N-phenylpropanamide is CCC(=O)N(CC1CCN(Cc2ccc3c(c2)CCC[C@@H]3O)CC1)c1ccccc1.
What is the InChIKey of N-[[1-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidin-4-yl]methyl]-N-phenylpropanamide?
The InChIKey is MTYYLZNJETVGMC-VWLOTQADSA-N. The full InChI is InChI=1S/C26H34N2O2/c1-2-26(30)28(23-8-4-3-5-9-23)19-20-13-15-27(16-14-20)18-21-11-12-24-22(17-21)7-6-10-25(24)29/h3-5,8-9,11-12,17,20,25,29H,2,6-7,10,13-16,18-19H2,1H3/t25-/m0/s1.
What are the key properties of N-[[1-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidin-4-yl]methyl]-N-phenylpropanamide?
N-[[1-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidin-4-yl]methyl]-N-phenylpropanamide has a molecular weight of 406.57 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidin-4-yl]methyl]-N-phenylpropanamide is sourced from PubChem (CID 122189398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).