N-[(5R)-5-hydroxy-6-(4-phenylmethoxyphenoxy)hexyl]piperidine-1-carboxamide

C25H34N2O4 — CID 159485143

IUPACN-[(5R)-5-hydroxy-6-(4-phenylmethoxyphenoxy)hexyl]piperidine-1-carboxamide
SMILESO=C(NCCCC[C@@H](O)COc1ccc(OCc2ccccc2)cc1)N1CCCCC1
InChIInChI=1S/C25H34N2O4/c28-22(11-5-6-16-26-25(29)27-17-7-2-8-18-27)20-31-24-14-12-23(13-15-24)30-19-21-9-3-1-4-10-21/h1,3-4,9-10,12-15,22,28H,2,5-8,11,16-20H2,(H,26,29)/t22-/m1/s1
InChIKeyGIDRIUHLFRGEPY-JOCHJYFZSA-N
MW426.56 g/mol
LogP4.37
Rot. Bonds11

About N-[(5R)-5-hydroxy-6-(4-phenylmethoxyphenoxy)hexyl]piperidine-1-carboxamide

N-[(5R)-5-hydroxy-6-(4-phenylmethoxyphenoxy)hexyl]piperidine-1-carboxamide (PubChem CID 159485143) has the molecular formula C25H34N2O4 and a molecular weight of 426.56 g/mol. Its IUPAC name is N-[(5R)-5-hydroxy-6-(4-phenylmethoxyphenoxy)hexyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(5R)-5-hydroxy-6-(4-phenylmethoxyphenoxy)hexyl]piperidine-1-carboxamide
PubChem CID159485143
Molecular FormulaC25H34N2O4
Molecular Weight426.56 g/mol
Exact Mass426.25
IUPAC NameN-[(5R)-5-hydroxy-6-(4-phenylmethoxyphenoxy)hexyl]piperidine-1-carboxamide
SMILESO=C(NCCCC[C@@H](O)COc1ccc(OCc2ccccc2)cc1)N1CCCCC1
InChIInChI=1S/C25H34N2O4/c28-22(11-5-6-16-26-25(29)27-17-7-2-8-18-27)20-31-24-14-12-23(13-15-24)30-19-21-9-3-1-4-10-21/h1,3-4,9-10,12-15,22,28H,2,5-8,11,16-20H2,(H,26,29)/t22-/m1/s1
InChIKeyGIDRIUHLFRGEPY-JOCHJYFZSA-N
XLogP4.37
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-4-methyl-1-[[(2S)-1-[3-(4-methylpiperazin-1-yl)propylamino]-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]amino]-1-oxopentan-2-yl]azepane-1-carboxamide
CID 70061137
1,3-bis(4-phenylmethoxyphenoxy)propan-2-ol
CID 3030941
azepan-1-yl-(4-phenylmethoxyphenyl)methanone
CID 4958376
2-(4-phenylmethoxyphenoxy)-N-(3-piperidin-1-ylpropyl)acetamide
CID 9405904
N-[(5S)-5-hydroxy-6-(4-hydroxyphenoxy)hexyl]-N-methylpiperidine-1-carboxamide
CID 162118082
N-[2-(dimethylamino)ethyl]-4-(4-phenylmethoxyphenyl)piperazine-1-carboxamide
CID 113105867
[4-[(4-phenylmethoxyphenyl)methyl]piperazin-1-yl]-pyrrolidin-1-ylmethanone
CID 59382130
2-[(2-hydroxy-3-phenoxypropyl)amino]-1-piperidin-1-ylethanone
CID 115582050
N-benzylazonane-1-carboxamide
CID 130689649
tert-butyl 2-[[(2R)-2-(azepane-1-carbonylamino)-3-phenylpropanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoate
CID 70061106
N-phenylmethoxyazepane-1-carboxamide
CID 112689523
N-[(2S)-2-[4-[N-(3-hydroxybutyl)-4-phenylmethoxyanilino]piperidine-1-carbonyl]-3-methylbutyl]azepane-1-carboxamide
CID 101042063

Frequently Asked Questions

What is the IUPAC name of N-[(5R)-5-hydroxy-6-(4-phenylmethoxyphenoxy)hexyl]piperidine-1-carboxamide?
The IUPAC name of N-[(5R)-5-hydroxy-6-(4-phenylmethoxyphenoxy)hexyl]piperidine-1-carboxamide (CID 159485143) is N-[(5R)-5-hydroxy-6-(4-phenylmethoxyphenoxy)hexyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[(5R)-5-hydroxy-6-(4-phenylmethoxyphenoxy)hexyl]piperidine-1-carboxamide?
The canonical SMILES for N-[(5R)-5-hydroxy-6-(4-phenylmethoxyphenoxy)hexyl]piperidine-1-carboxamide is O=C(NCCCC[C@@H](O)COc1ccc(OCc2ccccc2)cc1)N1CCCCC1.
What is the InChIKey of N-[(5R)-5-hydroxy-6-(4-phenylmethoxyphenoxy)hexyl]piperidine-1-carboxamide?
The InChIKey is GIDRIUHLFRGEPY-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H34N2O4/c28-22(11-5-6-16-26-25(29)27-17-7-2-8-18-27)20-31-24-14-12-23(13-15-24)30-19-21-9-3-1-4-10-21/h1,3-4,9-10,12-15,22,28H,2,5-8,11,16-20H2,(H,26,29)/t22-/m1/s1.
What are the key properties of N-[(5R)-5-hydroxy-6-(4-phenylmethoxyphenoxy)hexyl]piperidine-1-carboxamide?
N-[(5R)-5-hydroxy-6-(4-phenylmethoxyphenoxy)hexyl]piperidine-1-carboxamide has a molecular weight of 426.56 g/mol, XLogP of 4.37, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5R)-5-hydroxy-6-(4-phenylmethoxyphenoxy)hexyl]piperidine-1-carboxamide is sourced from PubChem (CID 159485143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).