N-(3-fluorophenyl)-4-hydroxy-4-pentylpiperidine-1-carboxamide

C17H25FN2O2 — CID 23071817

IUPACN-(3-fluorophenyl)-4-hydroxy-4-pentylpiperidine-1-carboxamide
SMILESCCCCCC1(O)CCN(C(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C17H25FN2O2/c1-2-3-4-8-17(22)9-11-20(12-10-17)16(21)19-15-7-5-6-14(18)13-15/h5-7,13,22H,2-4,8-12H2,1H3,(H,19,21)
InChIKeyUZDCZHNPFZHLAK-UHFFFAOYSA-N
MW308.40 g/mol
LogP3.76
Rot. Bonds5

About N-(3-fluorophenyl)-4-hydroxy-4-pentylpiperidine-1-carboxamide

N-(3-fluorophenyl)-4-hydroxy-4-pentylpiperidine-1-carboxamide (PubChem CID 23071817) has the molecular formula C17H25FN2O2 and a molecular weight of 308.40 g/mol. Its IUPAC name is N-(3-fluorophenyl)-4-hydroxy-4-pentylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-4-hydroxy-4-pentylpiperidine-1-carboxamide
PubChem CID23071817
Molecular FormulaC17H25FN2O2
Molecular Weight308.40 g/mol
Exact Mass308.19
IUPAC NameN-(3-fluorophenyl)-4-hydroxy-4-pentylpiperidine-1-carboxamide
SMILESCCCCCC1(O)CCN(C(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C17H25FN2O2/c1-2-3-4-8-17(22)9-11-20(12-10-17)16(21)19-15-7-5-6-14(18)13-15/h5-7,13,22H,2-4,8-12H2,1H3,(H,19,21)
InChIKeyUZDCZHNPFZHLAK-UHFFFAOYSA-N
XLogP3.76
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 53.76
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

3-ethyl-1-[(3-fluorophenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63145789
N-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 6469622
4-butan-2-yl-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 113104260
N-(3-fluorophenyl)-4,4-dimethylpiperazin-4-ium-1-carboxamide
CID 68939615
4-(1-aminobutan-2-yl)-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 63338979
N-(3-fluorophenyl)-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide
CID 1446453
N-(3-fluorophenyl)-4-(3-hydroxypropyl)piperazine-1-carboxamide;hydroiodide
CID 173123175
N-[3-(butanoylamino)phenyl]-4,4-difluoropiperidine-1-carboxamide
CID 118768211
1-N'-(3-fluorophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979827
N-(3-fluorophenyl)-4-sulfamoylpiperazine-1-carboxamide
CID 61131305
4-(2-aminophenyl)-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 170456870
N-(3-fluorophenyl)-4-(2-hydroxyethyl)-4-methylpiperazin-4-ium-1-carboxamide iodide
CID 68935546

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-4-hydroxy-4-pentylpiperidine-1-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-4-hydroxy-4-pentylpiperidine-1-carboxamide (CID 23071817) is N-(3-fluorophenyl)-4-hydroxy-4-pentylpiperidine-1-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-4-hydroxy-4-pentylpiperidine-1-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-4-hydroxy-4-pentylpiperidine-1-carboxamide is CCCCCC1(O)CCN(C(=O)Nc2cccc(F)c2)CC1.
What is the InChIKey of N-(3-fluorophenyl)-4-hydroxy-4-pentylpiperidine-1-carboxamide?
The InChIKey is UZDCZHNPFZHLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O2/c1-2-3-4-8-17(22)9-11-20(12-10-17)16(21)19-15-7-5-6-14(18)13-15/h5-7,13,22H,2-4,8-12H2,1H3,(H,19,21).
What are the key properties of N-(3-fluorophenyl)-4-hydroxy-4-pentylpiperidine-1-carboxamide?
N-(3-fluorophenyl)-4-hydroxy-4-pentylpiperidine-1-carboxamide has a molecular weight of 308.40 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-4-hydroxy-4-pentylpiperidine-1-carboxamide is sourced from PubChem (CID 23071817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).