N-[(5S)-5-hydroxy-6-(4-hydroxyphenoxy)hexyl]-N-methylpiperidine-1-carboxamide

C19H30N2O4 — CID 162118082

IUPACN-[(5S)-5-hydroxy-6-(4-hydroxyphenoxy)hexyl]-N-methylpiperidine-1-carboxamide
SMILESCN(CCCC[C@H](O)COc1ccc(O)cc1)C(=O)N1CCCCC1
InChIInChI=1S/C19H30N2O4/c1-20(19(24)21-13-4-2-5-14-21)12-6-3-7-17(23)15-25-18-10-8-16(22)9-11-18/h8-11,17,22-23H,2-7,12-15H2,1H3/t17-/m0/s1
InChIKeyZHAPNSZJLVISGB-KRWDZBQOSA-N
MW350.46 g/mol
LogP2.84
Rot. Bonds8

About N-[(5S)-5-hydroxy-6-(4-hydroxyphenoxy)hexyl]-N-methylpiperidine-1-carboxamide

N-[(5S)-5-hydroxy-6-(4-hydroxyphenoxy)hexyl]-N-methylpiperidine-1-carboxamide (PubChem CID 162118082) has the molecular formula C19H30N2O4 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-[(5S)-5-hydroxy-6-(4-hydroxyphenoxy)hexyl]-N-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(5S)-5-hydroxy-6-(4-hydroxyphenoxy)hexyl]-N-methylpiperidine-1-carboxamide
PubChem CID162118082
Molecular FormulaC19H30N2O4
Molecular Weight350.46 g/mol
Exact Mass350.22
IUPAC NameN-[(5S)-5-hydroxy-6-(4-hydroxyphenoxy)hexyl]-N-methylpiperidine-1-carboxamide
SMILESCN(CCCC[C@H](O)COc1ccc(O)cc1)C(=O)N1CCCCC1
InChIInChI=1S/C19H30N2O4/c1-20(19(24)21-13-4-2-5-14-21)12-6-3-7-17(23)15-25-18-10-8-16(22)9-11-18/h8-11,17,22-23H,2-7,12-15H2,1H3/t17-/m0/s1
InChIKeyZHAPNSZJLVISGB-KRWDZBQOSA-N
XLogP2.84
TPSA73.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 52.84
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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Frequently Asked Questions

What is the IUPAC name of N-[(5S)-5-hydroxy-6-(4-hydroxyphenoxy)hexyl]-N-methylpiperidine-1-carboxamide?
The IUPAC name of N-[(5S)-5-hydroxy-6-(4-hydroxyphenoxy)hexyl]-N-methylpiperidine-1-carboxamide (CID 162118082) is N-[(5S)-5-hydroxy-6-(4-hydroxyphenoxy)hexyl]-N-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[(5S)-5-hydroxy-6-(4-hydroxyphenoxy)hexyl]-N-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[(5S)-5-hydroxy-6-(4-hydroxyphenoxy)hexyl]-N-methylpiperidine-1-carboxamide is CN(CCCC[C@H](O)COc1ccc(O)cc1)C(=O)N1CCCCC1.
What is the InChIKey of N-[(5S)-5-hydroxy-6-(4-hydroxyphenoxy)hexyl]-N-methylpiperidine-1-carboxamide?
The InChIKey is ZHAPNSZJLVISGB-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H30N2O4/c1-20(19(24)21-13-4-2-5-14-21)12-6-3-7-17(23)15-25-18-10-8-16(22)9-11-18/h8-11,17,22-23H,2-7,12-15H2,1H3/t17-/m0/s1.
What are the key properties of N-[(5S)-5-hydroxy-6-(4-hydroxyphenoxy)hexyl]-N-methylpiperidine-1-carboxamide?
N-[(5S)-5-hydroxy-6-(4-hydroxyphenoxy)hexyl]-N-methylpiperidine-1-carboxamide has a molecular weight of 350.46 g/mol, XLogP of 2.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S)-5-hydroxy-6-(4-hydroxyphenoxy)hexyl]-N-methylpiperidine-1-carboxamide is sourced from PubChem (CID 162118082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).