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

C18H27FN2O3 — CID 143215292

IUPAC3-[(1S)-1-(3-fluorophenyl)-1-hydroxy-5-methoxypentyl]piperidine-1-carboxamide
SMILESCOCCCC[C@@](O)(c1cccc(F)c1)C1CCCN(C(N)=O)C1
InChIInChI=1S/C18H27FN2O3/c1-24-11-3-2-9-18(23,14-6-4-8-16(19)12-14)15-7-5-10-21(13-15)17(20)22/h4,6,8,12,15,23H,2-3,5,7,9-11,13H2,1H3,(H2,20,22)/t15?,18-/m1/s1
InChIKeyLYRZWLLYEVNEQC-KPMSDPLLSA-N
MW338.42 g/mol
LogP2.62
Rot. Bonds7

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

3-[(1S)-1-(3-fluorophenyl)-1-hydroxy-5-methoxypentyl]piperidine-1-carboxamide (PubChem CID 143215292) has the molecular formula C18H27FN2O3 and a molecular weight of 338.42 g/mol. Its IUPAC name is 3-[(1S)-1-(3-fluorophenyl)-1-hydroxy-5-methoxypentyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-[(1S)-1-(3-fluorophenyl)-1-hydroxy-5-methoxypentyl]piperidine-1-carboxamide
PubChem CID143215292
Molecular FormulaC18H27FN2O3
Molecular Weight338.42 g/mol
Exact Mass338.20
IUPAC Name3-[(1S)-1-(3-fluorophenyl)-1-hydroxy-5-methoxypentyl]piperidine-1-carboxamide
SMILESCOCCCC[C@@](O)(c1cccc(F)c1)C1CCCN(C(N)=O)C1
InChIInChI=1S/C18H27FN2O3/c1-24-11-3-2-9-18(23,14-6-4-8-16(19)12-14)15-7-5-10-21(13-15)17(20)22/h4,6,8,12,15,23H,2-3,5,7,9-11,13H2,1H3,(H2,20,22)/t15?,18-/m1/s1
InChIKeyLYRZWLLYEVNEQC-KPMSDPLLSA-N
XLogP2.62
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 ≤ 52.62
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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Related Compounds

N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[1-(3-fluorophenyl)-1-hydroxy-5-methoxypentyl]piperidine-1-carboxamide
CID 11584044
2-[(1S)-1-(3-fluorophenyl)-1-hydroxy-5-methoxypentyl]piperidine-1-carboxamide
CID 69467214
3-[1-(3-fluorophenyl)-1-hydroxy-5-methoxypentyl]-N-[3-(1-hydroxycyclohexyl)-2-(methylamino)propyl]piperidine-1-carboxamide
CID 67191484
1-[(3R)-3-[(1S)-1-(3-fluorophenyl)-1-hydroxy-5-methoxypentyl]piperidin-1-yl]-3-[(1-hydroxycyclohexyl)methyl]-4-(methylamino)butan-1-one
CID 58246724
tert-butyl 3-[(1S)-1-(3-bromophenyl)-1-hydroxy-5-methoxypentyl]piperidine-1-carboxylate
CID 67190161
(3-aminopyrrolidin-1-yl)-[3-[(1S)-1-[2-(3-fluorophenoxy)phenyl]-1-hydroxy-5-methoxypentyl]piperidin-1-yl]methanone
CID 68990091
(3R)-3-[(1S)-1-[3-(4-fluorophenoxy)phenyl]-1-hydroxy-5-methoxypentyl]-N-[4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide
CID 67192400
3-[1-[3-(4-fluorophenoxy)phenyl]-1-hydroxy-5-methoxypentyl]-N-[4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide
CID 67192010
[(1R,3S)-3-aminocyclopentyl]-[3-[(1S)-1-[2-(3-fluorophenoxy)phenyl]-1-hydroxy-5-methoxypentyl]piperidin-1-yl]methanone
CID 68993332
[(3R,4S)-3-amino-4-hydroxypyrrolidin-1-yl]-[3-[(1S)-1-[3-fluoro-2-(3-fluorophenyl)phenyl]-1-hydroxy-5-methoxypentyl]piperidin-1-yl]methanone
CID 68992099
[(3R,4S)-3-amino-4-hydroxypyrrolidin-1-yl]-[3-[(1S)-1-[3-chloro-2-(3-fluorophenyl)phenyl]-1-hydroxy-5-methoxypentyl]piperidin-1-yl]methanone
CID 68990158
N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[1-hydroxy-5-methoxy-1-[3-(trifluoromethyl)phenyl]pentyl]piperidine-1-carboxamide
CID 11555687

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-(3-fluorophenyl)-1-hydroxy-5-methoxypentyl]piperidine-1-carboxamide?
The IUPAC name of 3-[(1S)-1-(3-fluorophenyl)-1-hydroxy-5-methoxypentyl]piperidine-1-carboxamide (CID 143215292) is 3-[(1S)-1-(3-fluorophenyl)-1-hydroxy-5-methoxypentyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-[(1S)-1-(3-fluorophenyl)-1-hydroxy-5-methoxypentyl]piperidine-1-carboxamide?
The canonical SMILES for 3-[(1S)-1-(3-fluorophenyl)-1-hydroxy-5-methoxypentyl]piperidine-1-carboxamide is COCCCC[C@@](O)(c1cccc(F)c1)C1CCCN(C(N)=O)C1.
What is the InChIKey of 3-[(1S)-1-(3-fluorophenyl)-1-hydroxy-5-methoxypentyl]piperidine-1-carboxamide?
The InChIKey is LYRZWLLYEVNEQC-KPMSDPLLSA-N. The full InChI is InChI=1S/C18H27FN2O3/c1-24-11-3-2-9-18(23,14-6-4-8-16(19)12-14)15-7-5-10-21(13-15)17(20)22/h4,6,8,12,15,23H,2-3,5,7,9-11,13H2,1H3,(H2,20,22)/t15?,18-/m1/s1.
What are the key properties of 3-[(1S)-1-(3-fluorophenyl)-1-hydroxy-5-methoxypentyl]piperidine-1-carboxamide?
3-[(1S)-1-(3-fluorophenyl)-1-hydroxy-5-methoxypentyl]piperidine-1-carboxamide has a molecular weight of 338.42 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-(3-fluorophenyl)-1-hydroxy-5-methoxypentyl]piperidine-1-carboxamide is sourced from PubChem (CID 143215292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).