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

C25H32N2O2 — CID 122189397

IUPACN-[1-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1CCN(Cc2ccc3c(c2)CCC[C@@H]3O)CC1
InChIInChI=1S/C25H32N2O2/c1-2-25(29)27(21-8-4-3-5-9-21)22-13-15-26(16-14-22)18-19-11-12-23-20(17-19)7-6-10-24(23)28/h3-5,8-9,11-12,17,22,24,28H,2,6-7,10,13-16,18H2,1H3/t24-/m0/s1
InChIKeyFDNVARBCVAIKSE-DEOSSOPVSA-N
MW392.54 g/mol
LogP4.46
Rot. Bonds5

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

N-[1-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidin-4-yl]-N-phenylpropanamide (PubChem CID 122189397) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is N-[1-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidin-4-yl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-[1-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidin-4-yl]-N-phenylpropanamide
PubChem CID122189397
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC NameN-[1-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1CCN(Cc2ccc3c(c2)CCC[C@@H]3O)CC1
InChIInChI=1S/C25H32N2O2/c1-2-25(29)27(21-8-4-3-5-9-21)22-13-15-26(16-14-22)18-19-11-12-23-20(17-19)7-6-10-24(23)28/h3-5,8-9,11-12,17,22,24,28H,2,6-7,10,13-16,18H2,1H3/t24-/m0/s1
InChIKeyFDNVARBCVAIKSE-DEOSSOPVSA-N
XLogP4.46
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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]-N-phenylpropanamide?
The IUPAC name of N-[1-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidin-4-yl]-N-phenylpropanamide (CID 122189397) is N-[1-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidin-4-yl]-N-phenylpropanamide.
What is the SMILES notation for N-[1-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidin-4-yl]-N-phenylpropanamide?
The canonical SMILES for N-[1-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidin-4-yl]-N-phenylpropanamide is CCC(=O)N(c1ccccc1)C1CCN(Cc2ccc3c(c2)CCC[C@@H]3O)CC1.
What is the InChIKey of N-[1-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidin-4-yl]-N-phenylpropanamide?
The InChIKey is FDNVARBCVAIKSE-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H32N2O2/c1-2-25(29)27(21-8-4-3-5-9-21)22-13-15-26(16-14-22)18-19-11-12-23-20(17-19)7-6-10-24(23)28/h3-5,8-9,11-12,17,22,24,28H,2,6-7,10,13-16,18H2,1H3/t24-/m0/s1.
What are the key properties of N-[1-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidin-4-yl]-N-phenylpropanamide?
N-[1-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidin-4-yl]-N-phenylpropanamide has a molecular weight of 392.54 g/mol, XLogP of 4.46, 5 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]-N-phenylpropanamide is sourced from PubChem (CID 122189397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).