2-[(1S)-1-(3-fluorophenyl)-1-hydroxy-5-methoxypentyl]piperidine-1-carboxamide

C18H27FN2O3 — CID 69467214

IUPAC2-[(1S)-1-(3-fluorophenyl)-1-hydroxy-5-methoxypentyl]piperidine-1-carboxamide
SMILESCOCCCC[C@](O)(c1cccc(F)c1)C1CCCCN1C(N)=O
InChIInChI=1S/C18H27FN2O3/c1-24-12-5-3-10-18(23,14-7-6-8-15(19)13-14)16-9-2-4-11-21(16)17(20)22/h6-8,13,16,23H,2-5,9-12H2,1H3,(H2,20,22)/t16?,18-/m0/s1
InChIKeyYDVIAMGMAZMGKG-DAFXYXGESA-N
MW338.42 g/mol
LogP2.76
Rot. Bonds7

About 2-[(1S)-1-(3-fluorophenyl)-1-hydroxy-5-methoxypentyl]piperidine-1-carboxamide

2-[(1S)-1-(3-fluorophenyl)-1-hydroxy-5-methoxypentyl]piperidine-1-carboxamide (PubChem CID 69467214) has the molecular formula C18H27FN2O3 and a molecular weight of 338.42 g/mol. Its IUPAC name is 2-[(1S)-1-(3-fluorophenyl)-1-hydroxy-5-methoxypentyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name2-[(1S)-1-(3-fluorophenyl)-1-hydroxy-5-methoxypentyl]piperidine-1-carboxamide
PubChem CID69467214
Molecular FormulaC18H27FN2O3
Molecular Weight338.42 g/mol
Exact Mass338.20
IUPAC Name2-[(1S)-1-(3-fluorophenyl)-1-hydroxy-5-methoxypentyl]piperidine-1-carboxamide
SMILESCOCCCC[C@](O)(c1cccc(F)c1)C1CCCCN1C(N)=O
InChIInChI=1S/C18H27FN2O3/c1-24-12-5-3-10-18(23,14-7-6-8-15(19)13-14)16-9-2-4-11-21(16)17(20)22/h6-8,13,16,23H,2-5,9-12H2,1H3,(H2,20,22)/t16?,18-/m0/s1
InChIKeyYDVIAMGMAZMGKG-DAFXYXGESA-N
XLogP2.76
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-[(1S)-1-(3-fluorophenyl)-1-hydroxy-5-methoxypentyl]piperidine-1-carboxamide?
The IUPAC name of 2-[(1S)-1-(3-fluorophenyl)-1-hydroxy-5-methoxypentyl]piperidine-1-carboxamide (CID 69467214) is 2-[(1S)-1-(3-fluorophenyl)-1-hydroxy-5-methoxypentyl]piperidine-1-carboxamide.
What is the SMILES notation for 2-[(1S)-1-(3-fluorophenyl)-1-hydroxy-5-methoxypentyl]piperidine-1-carboxamide?
The canonical SMILES for 2-[(1S)-1-(3-fluorophenyl)-1-hydroxy-5-methoxypentyl]piperidine-1-carboxamide is COCCCC[C@](O)(c1cccc(F)c1)C1CCCCN1C(N)=O.
What is the InChIKey of 2-[(1S)-1-(3-fluorophenyl)-1-hydroxy-5-methoxypentyl]piperidine-1-carboxamide?
The InChIKey is YDVIAMGMAZMGKG-DAFXYXGESA-N. The full InChI is InChI=1S/C18H27FN2O3/c1-24-12-5-3-10-18(23,14-7-6-8-15(19)13-14)16-9-2-4-11-21(16)17(20)22/h6-8,13,16,23H,2-5,9-12H2,1H3,(H2,20,22)/t16?,18-/m0/s1.
What are the key properties of 2-[(1S)-1-(3-fluorophenyl)-1-hydroxy-5-methoxypentyl]piperidine-1-carboxamide?
2-[(1S)-1-(3-fluorophenyl)-1-hydroxy-5-methoxypentyl]piperidine-1-carboxamide has a molecular weight of 338.42 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-(3-fluorophenyl)-1-hydroxy-5-methoxypentyl]piperidine-1-carboxamide is sourced from PubChem (CID 69467214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).