N-[4-(4-fluorophenoxy)butyl]-4-piperidin-1-ylpiperidine-1-carboxamide

C21H32FN3O2 — CID 51117960

IUPACN-[4-(4-fluorophenoxy)butyl]-4-piperidin-1-ylpiperidine-1-carboxamide
SMILESO=C(NCCCCOc1ccc(F)cc1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C21H32FN3O2/c22-18-6-8-20(9-7-18)27-17-5-2-12-23-21(26)25-15-10-19(11-16-25)24-13-3-1-4-14-24/h6-9,19H,1-5,10-17H2,(H,23,26)
InChIKeyYUDXFGRRGKUCFA-UHFFFAOYSA-N
MW377.50 g/mol
LogP3.64
Rot. Bonds7

About N-[4-(4-fluorophenoxy)butyl]-4-piperidin-1-ylpiperidine-1-carboxamide

N-[4-(4-fluorophenoxy)butyl]-4-piperidin-1-ylpiperidine-1-carboxamide (PubChem CID 51117960) has the molecular formula C21H32FN3O2 and a molecular weight of 377.50 g/mol. Its IUPAC name is N-[4-(4-fluorophenoxy)butyl]-4-piperidin-1-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenoxy)butyl]-4-piperidin-1-ylpiperidine-1-carboxamide
PubChem CID51117960
Molecular FormulaC21H32FN3O2
Molecular Weight377.50 g/mol
Exact Mass377.25
IUPAC NameN-[4-(4-fluorophenoxy)butyl]-4-piperidin-1-ylpiperidine-1-carboxamide
SMILESO=C(NCCCCOc1ccc(F)cc1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C21H32FN3O2/c22-18-6-8-20(9-7-18)27-17-5-2-12-23-21(26)25-15-10-19(11-16-25)24-13-3-1-4-14-24/h6-9,19H,1-5,10-17H2,(H,23,26)
InChIKeyYUDXFGRRGKUCFA-UHFFFAOYSA-N
XLogP3.64
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.50
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[4-(4-fluorophenoxy)butyl]-4-piperidin-1-ylpiperidine-1-carboxamide?
The IUPAC name of N-[4-(4-fluorophenoxy)butyl]-4-piperidin-1-ylpiperidine-1-carboxamide (CID 51117960) is N-[4-(4-fluorophenoxy)butyl]-4-piperidin-1-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-[4-(4-fluorophenoxy)butyl]-4-piperidin-1-ylpiperidine-1-carboxamide?
The canonical SMILES for N-[4-(4-fluorophenoxy)butyl]-4-piperidin-1-ylpiperidine-1-carboxamide is O=C(NCCCCOc1ccc(F)cc1)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of N-[4-(4-fluorophenoxy)butyl]-4-piperidin-1-ylpiperidine-1-carboxamide?
The InChIKey is YUDXFGRRGKUCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32FN3O2/c22-18-6-8-20(9-7-18)27-17-5-2-12-23-21(26)25-15-10-19(11-16-25)24-13-3-1-4-14-24/h6-9,19H,1-5,10-17H2,(H,23,26).
What are the key properties of N-[4-(4-fluorophenoxy)butyl]-4-piperidin-1-ylpiperidine-1-carboxamide?
N-[4-(4-fluorophenoxy)butyl]-4-piperidin-1-ylpiperidine-1-carboxamide has a molecular weight of 377.50 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenoxy)butyl]-4-piperidin-1-ylpiperidine-1-carboxamide is sourced from PubChem (CID 51117960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).