4-[(2,2-diphenylmorpholin-4-yl)methyl]-N-(3-fluorophenyl)piperidine-1-carboxamide

C29H32FN3O2 — CID 44529912

IUPAC4-[(2,2-diphenylmorpholin-4-yl)methyl]-N-(3-fluorophenyl)piperidine-1-carboxamide
SMILESO=C(Nc1cccc(F)c1)N1CCC(CN2CCOC(c3ccccc3)(c3ccccc3)C2)CC1
InChIInChI=1S/C29H32FN3O2/c30-26-12-7-13-27(20-26)31-28(34)33-16-14-23(15-17-33)21-32-18-19-35-29(22-32,24-8-3-1-4-9-24)25-10-5-2-6-11-25/h1-13,20,23H,14-19,21-22H2,(H,31,34)
InChIKeyRYFPFUHKUUKLRJ-UHFFFAOYSA-N
MW473.59 g/mol
LogP5.35
Rot. Bonds5

About 4-[(2,2-diphenylmorpholin-4-yl)methyl]-N-(3-fluorophenyl)piperidine-1-carboxamide

4-[(2,2-diphenylmorpholin-4-yl)methyl]-N-(3-fluorophenyl)piperidine-1-carboxamide (PubChem CID 44529912) has the molecular formula C29H32FN3O2 and a molecular weight of 473.59 g/mol. Its IUPAC name is 4-[(2,2-diphenylmorpholin-4-yl)methyl]-N-(3-fluorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(2,2-diphenylmorpholin-4-yl)methyl]-N-(3-fluorophenyl)piperidine-1-carboxamide
PubChem CID44529912
Molecular FormulaC29H32FN3O2
Molecular Weight473.59 g/mol
Exact Mass473.25
IUPAC Name4-[(2,2-diphenylmorpholin-4-yl)methyl]-N-(3-fluorophenyl)piperidine-1-carboxamide
SMILESO=C(Nc1cccc(F)c1)N1CCC(CN2CCOC(c3ccccc3)(c3ccccc3)C2)CC1
InChIInChI=1S/C29H32FN3O2/c30-26-12-7-13-27(20-26)31-28(34)33-16-14-23(15-17-33)21-32-18-19-35-29(22-32,24-8-3-1-4-9-24)25-10-5-2-6-11-25/h1-13,20,23H,14-19,21-22H2,(H,31,34)
InChIKeyRYFPFUHKUUKLRJ-UHFFFAOYSA-N
XLogP5.35
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.59
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-diphenylmorpholin-4-yl)methyl]-N-(3-fluorophenyl)piperidine-1-carboxamide?
The IUPAC name of 4-[(2,2-diphenylmorpholin-4-yl)methyl]-N-(3-fluorophenyl)piperidine-1-carboxamide (CID 44529912) is 4-[(2,2-diphenylmorpholin-4-yl)methyl]-N-(3-fluorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[(2,2-diphenylmorpholin-4-yl)methyl]-N-(3-fluorophenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[(2,2-diphenylmorpholin-4-yl)methyl]-N-(3-fluorophenyl)piperidine-1-carboxamide is O=C(Nc1cccc(F)c1)N1CCC(CN2CCOC(c3ccccc3)(c3ccccc3)C2)CC1.
What is the InChIKey of 4-[(2,2-diphenylmorpholin-4-yl)methyl]-N-(3-fluorophenyl)piperidine-1-carboxamide?
The InChIKey is RYFPFUHKUUKLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32FN3O2/c30-26-12-7-13-27(20-26)31-28(34)33-16-14-23(15-17-33)21-32-18-19-35-29(22-32,24-8-3-1-4-9-24)25-10-5-2-6-11-25/h1-13,20,23H,14-19,21-22H2,(H,31,34).
What are the key properties of 4-[(2,2-diphenylmorpholin-4-yl)methyl]-N-(3-fluorophenyl)piperidine-1-carboxamide?
4-[(2,2-diphenylmorpholin-4-yl)methyl]-N-(3-fluorophenyl)piperidine-1-carboxamide has a molecular weight of 473.59 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-diphenylmorpholin-4-yl)methyl]-N-(3-fluorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 44529912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).