(2S)-N-[3-(2-fluorophenyl)propyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide

C17H25FN2O2 — CID 125140406

IUPAC(2S)-N-[3-(2-fluorophenyl)propyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide
SMILESO=C(NCCCc1ccccc1F)N1CCCC[C@H]1CCO
InChIInChI=1S/C17H25FN2O2/c18-16-9-2-1-6-14(16)7-5-11-19-17(22)20-12-4-3-8-15(20)10-13-21/h1-2,6,9,15,21H,3-5,7-8,10-13H2,(H,19,22)/t15-/m0/s1
InChIKeyYDFMPIQNEFQNSN-HNNXBMFYSA-N
MW308.40 g/mol
LogP2.70
Rot. Bonds6

About (2S)-N-[3-(2-fluorophenyl)propyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide

(2S)-N-[3-(2-fluorophenyl)propyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide (PubChem CID 125140406) has the molecular formula C17H25FN2O2 and a molecular weight of 308.40 g/mol. Its IUPAC name is (2S)-N-[3-(2-fluorophenyl)propyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-[3-(2-fluorophenyl)propyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide
PubChem CID125140406
Molecular FormulaC17H25FN2O2
Molecular Weight308.40 g/mol
Exact Mass308.19
IUPAC Name(2S)-N-[3-(2-fluorophenyl)propyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide
SMILESO=C(NCCCc1ccccc1F)N1CCCC[C@H]1CCO
InChIInChI=1S/C17H25FN2O2/c18-16-9-2-1-6-14(16)7-5-11-19-17(22)20-12-4-3-8-15(20)10-13-21/h1-2,6,9,15,21H,3-5,7-8,10-13H2,(H,19,22)/t15-/m0/s1
InChIKeyYDFMPIQNEFQNSN-HNNXBMFYSA-N
XLogP2.70
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-[3-(2-fluorophenyl)propyl]-2-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carboxamide
CID 125444012
(2R)-2-(2-hydroxyethyl)-N-(3-thiophen-2-ylpropyl)piperidine-1-carboxamide
CID 97335931
(2S)-2-(2-hydroxyethyl)-N-[2-(4-methylphenyl)ethyl]piperidine-1-carboxamide
CID 124670162
N-[(3-fluorophenyl)methyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 108898597
1-(cyclobutanecarbonyl)-N-[3-(2-fluorophenyl)propyl]piperidine-4-carboxamide
CID 72922541
N-(2-fluorophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide
CID 108520894
N-[3-(2-fluoro-N-methylanilino)propyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111428035
1-(2-fluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-2-one
CID 62052719
N-[(3,4-dimethylphenoxy)methyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 108879278
2-(2-hydroxyethyl)-N-[(2-propoxyphenyl)methyl]piperidine-1-carboxamide
CID 122568396
(2S)-2-(2-hydroxyethyl)-N-[(2-propoxyphenyl)methyl]piperidine-1-carboxamide
CID 125444999
2-(2-hydroxyethyl)-N-[2-(3-methoxyphenyl)ethyl]piperidine-1-carboxamide
CID 108901080

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(2-fluorophenyl)propyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide?
The IUPAC name of (2S)-N-[3-(2-fluorophenyl)propyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide (CID 125140406) is (2S)-N-[3-(2-fluorophenyl)propyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide.
What is the SMILES notation for (2S)-N-[3-(2-fluorophenyl)propyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide?
The canonical SMILES for (2S)-N-[3-(2-fluorophenyl)propyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide is O=C(NCCCc1ccccc1F)N1CCCC[C@H]1CCO.
What is the InChIKey of (2S)-N-[3-(2-fluorophenyl)propyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide?
The InChIKey is YDFMPIQNEFQNSN-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H25FN2O2/c18-16-9-2-1-6-14(16)7-5-11-19-17(22)20-12-4-3-8-15(20)10-13-21/h1-2,6,9,15,21H,3-5,7-8,10-13H2,(H,19,22)/t15-/m0/s1.
What are the key properties of (2S)-N-[3-(2-fluorophenyl)propyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide?
(2S)-N-[3-(2-fluorophenyl)propyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide has a molecular weight of 308.40 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(2-fluorophenyl)propyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide is sourced from PubChem (CID 125140406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).