N-(3-fluoro-4-hydroxyphenyl)-4-propylpiperidine-4-carboxamide

C15H21FN2O2 — CID 64782428

IUPACN-(3-fluoro-4-hydroxyphenyl)-4-propylpiperidine-4-carboxamide
SMILESCCCC1(C(=O)Nc2ccc(O)c(F)c2)CCNCC1
InChIInChI=1S/C15H21FN2O2/c1-2-5-15(6-8-17-9-7-15)14(20)18-11-3-4-13(19)12(16)10-11/h3-4,10,17,19H,2,5-9H2,1H3,(H,18,20)
InChIKeySTSZQLMBZVYNAT-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.64
Rot. Bonds4

About N-(3-fluoro-4-hydroxyphenyl)-4-propylpiperidine-4-carboxamide

N-(3-fluoro-4-hydroxyphenyl)-4-propylpiperidine-4-carboxamide (PubChem CID 64782428) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is N-(3-fluoro-4-hydroxyphenyl)-4-propylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-hydroxyphenyl)-4-propylpiperidine-4-carboxamide
PubChem CID64782428
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC NameN-(3-fluoro-4-hydroxyphenyl)-4-propylpiperidine-4-carboxamide
SMILESCCCC1(C(=O)Nc2ccc(O)c(F)c2)CCNCC1
InChIInChI=1S/C15H21FN2O2/c1-2-5-15(6-8-17-9-7-15)14(20)18-11-3-4-13(19)12(16)10-11/h3-4,10,17,19H,2,5-9H2,1H3,(H,18,20)
InChIKeySTSZQLMBZVYNAT-UHFFFAOYSA-N
XLogP2.64
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-hydroxyphenyl)-4-propylpiperidine-4-carboxamide?
The IUPAC name of N-(3-fluoro-4-hydroxyphenyl)-4-propylpiperidine-4-carboxamide (CID 64782428) is N-(3-fluoro-4-hydroxyphenyl)-4-propylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-hydroxyphenyl)-4-propylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-fluoro-4-hydroxyphenyl)-4-propylpiperidine-4-carboxamide is CCCC1(C(=O)Nc2ccc(O)c(F)c2)CCNCC1.
What is the InChIKey of N-(3-fluoro-4-hydroxyphenyl)-4-propylpiperidine-4-carboxamide?
The InChIKey is STSZQLMBZVYNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-2-5-15(6-8-17-9-7-15)14(20)18-11-3-4-13(19)12(16)10-11/h3-4,10,17,19H,2,5-9H2,1H3,(H,18,20).
What are the key properties of N-(3-fluoro-4-hydroxyphenyl)-4-propylpiperidine-4-carboxamide?
N-(3-fluoro-4-hydroxyphenyl)-4-propylpiperidine-4-carboxamide has a molecular weight of 280.34 g/mol, XLogP of 2.64, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-hydroxyphenyl)-4-propylpiperidine-4-carboxamide is sourced from PubChem (CID 64782428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).