N-[3-(4-fluorophenyl)propyl]-4-hydroxypiperidine-1-carboxamide

C15H21FN2O2 — CID 118398439

IUPACN-[3-(4-fluorophenyl)propyl]-4-hydroxypiperidine-1-carboxamide
SMILESO=C(NCCCc1ccc(F)cc1)N1CCC(O)CC1
InChIInChI=1S/C15H21FN2O2/c16-13-5-3-12(4-6-13)2-1-9-17-15(20)18-10-7-14(19)8-11-18/h3-6,14,19H,1-2,7-11H2,(H,17,20)
InChIKeySIIDCDVBGAKNDJ-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.92
Rot. Bonds4

About N-[3-(4-fluorophenyl)propyl]-4-hydroxypiperidine-1-carboxamide

N-[3-(4-fluorophenyl)propyl]-4-hydroxypiperidine-1-carboxamide (PubChem CID 118398439) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)propyl]-4-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)propyl]-4-hydroxypiperidine-1-carboxamide
PubChem CID118398439
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC NameN-[3-(4-fluorophenyl)propyl]-4-hydroxypiperidine-1-carboxamide
SMILESO=C(NCCCc1ccc(F)cc1)N1CCC(O)CC1
InChIInChI=1S/C15H21FN2O2/c16-13-5-3-12(4-6-13)2-1-9-17-15(20)18-10-7-14(19)8-11-18/h3-6,14,19H,1-2,7-11H2,(H,17,20)
InChIKeySIIDCDVBGAKNDJ-UHFFFAOYSA-N
XLogP1.92
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.92
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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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)propyl]-4-hydroxypiperidine-1-carboxamide?
The IUPAC name of N-[3-(4-fluorophenyl)propyl]-4-hydroxypiperidine-1-carboxamide (CID 118398439) is N-[3-(4-fluorophenyl)propyl]-4-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)propyl]-4-hydroxypiperidine-1-carboxamide?
The canonical SMILES for N-[3-(4-fluorophenyl)propyl]-4-hydroxypiperidine-1-carboxamide is O=C(NCCCc1ccc(F)cc1)N1CCC(O)CC1.
What is the InChIKey of N-[3-(4-fluorophenyl)propyl]-4-hydroxypiperidine-1-carboxamide?
The InChIKey is SIIDCDVBGAKNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c16-13-5-3-12(4-6-13)2-1-9-17-15(20)18-10-7-14(19)8-11-18/h3-6,14,19H,1-2,7-11H2,(H,17,20).
What are the key properties of N-[3-(4-fluorophenyl)propyl]-4-hydroxypiperidine-1-carboxamide?
N-[3-(4-fluorophenyl)propyl]-4-hydroxypiperidine-1-carboxamide has a molecular weight of 280.34 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)propyl]-4-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 118398439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).