4-[4-[2-[(dimethylamino)methyl]phenyl]phenoxy]-N-(3-fluorophenyl)piperidine-1-carboxamide

C27H30FN3O2 — CID 24732865

IUPAC4-[4-[2-[(dimethylamino)methyl]phenyl]phenoxy]-N-(3-fluorophenyl)piperidine-1-carboxamide
SMILESCN(C)Cc1ccccc1-c1ccc(OC2CCN(C(=O)Nc3cccc(F)c3)CC2)cc1
InChIInChI=1S/C27H30FN3O2/c1-30(2)19-21-6-3-4-9-26(21)20-10-12-24(13-11-20)33-25-14-16-31(17-15-25)27(32)29-23-8-5-7-22(28)18-23/h3-13,18,25H,14-17,19H2,1-2H3,(H,29,32)
InChIKeyOGHTZBWHVPCTFO-UHFFFAOYSA-N
MW447.55 g/mol
LogP5.63
Rot. Bonds6

About 4-[4-[2-[(dimethylamino)methyl]phenyl]phenoxy]-N-(3-fluorophenyl)piperidine-1-carboxamide

4-[4-[2-[(dimethylamino)methyl]phenyl]phenoxy]-N-(3-fluorophenyl)piperidine-1-carboxamide (PubChem CID 24732865) has the molecular formula C27H30FN3O2 and a molecular weight of 447.55 g/mol. Its IUPAC name is 4-[4-[2-[(dimethylamino)methyl]phenyl]phenoxy]-N-(3-fluorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[4-[2-[(dimethylamino)methyl]phenyl]phenoxy]-N-(3-fluorophenyl)piperidine-1-carboxamide
PubChem CID24732865
Molecular FormulaC27H30FN3O2
Molecular Weight447.55 g/mol
Exact Mass447.23
IUPAC Name4-[4-[2-[(dimethylamino)methyl]phenyl]phenoxy]-N-(3-fluorophenyl)piperidine-1-carboxamide
SMILESCN(C)Cc1ccccc1-c1ccc(OC2CCN(C(=O)Nc3cccc(F)c3)CC2)cc1
InChIInChI=1S/C27H30FN3O2/c1-30(2)19-21-6-3-4-9-26(21)20-10-12-24(13-11-20)33-25-14-16-31(17-15-25)27(32)29-23-8-5-7-22(28)18-23/h3-13,18,25H,14-17,19H2,1-2H3,(H,29,32)
InChIKeyOGHTZBWHVPCTFO-UHFFFAOYSA-N
XLogP5.63
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.55
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-[2-[(dimethylamino)methyl]phenyl]phenoxy]-N-ethylpiperidine-1-carboxamide
CID 24733760
4-benzyl-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 3570835
2-[[3-[[4-(3-fluorophenoxy)piperidine-1-carbonyl]amino]benzoyl]amino]acetic acid
CID 145485903
N-[3-[(3-fluorophenyl)carbamoyl]phenyl]-4-[2-hydroxyethyl(methyl)amino]piperidine-1-carboxamide
CID 75449902
N-[3-[(3-fluorophenyl)carbamoyl]phenyl]-4-(3-methylbutoxy)piperidine-1-carboxamide
CID 112838670
2-(3-fluorophenyl)-1-[4-(4-methylphenoxy)piperidin-1-yl]ethanone
CID 50846863
3-(3-fluorophenoxy)-N-[3-(methylcarbamoyl)phenyl]pyrrolidine-1-carboxamide
CID 136530045
N-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 6469622
1-N-(3-fluorophenyl)piperidine-1,4-dicarboxamide
CID 108893994
(3S)-N-(3-fluorophenyl)-3-(methylamino)pyrrolidine-1-carboxamide
CID 172646365
N-phenyl-4-[3-(trifluoromethyl)phenoxy]piperidine-1-carboxamide
CID 12999550
N-(3-fluorophenyl)-4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide
CID 46366148

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[(dimethylamino)methyl]phenyl]phenoxy]-N-(3-fluorophenyl)piperidine-1-carboxamide?
The IUPAC name of 4-[4-[2-[(dimethylamino)methyl]phenyl]phenoxy]-N-(3-fluorophenyl)piperidine-1-carboxamide (CID 24732865) is 4-[4-[2-[(dimethylamino)methyl]phenyl]phenoxy]-N-(3-fluorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[4-[2-[(dimethylamino)methyl]phenyl]phenoxy]-N-(3-fluorophenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[4-[2-[(dimethylamino)methyl]phenyl]phenoxy]-N-(3-fluorophenyl)piperidine-1-carboxamide is CN(C)Cc1ccccc1-c1ccc(OC2CCN(C(=O)Nc3cccc(F)c3)CC2)cc1.
What is the InChIKey of 4-[4-[2-[(dimethylamino)methyl]phenyl]phenoxy]-N-(3-fluorophenyl)piperidine-1-carboxamide?
The InChIKey is OGHTZBWHVPCTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN3O2/c1-30(2)19-21-6-3-4-9-26(21)20-10-12-24(13-11-20)33-25-14-16-31(17-15-25)27(32)29-23-8-5-7-22(28)18-23/h3-13,18,25H,14-17,19H2,1-2H3,(H,29,32).
What are the key properties of 4-[4-[2-[(dimethylamino)methyl]phenyl]phenoxy]-N-(3-fluorophenyl)piperidine-1-carboxamide?
4-[4-[2-[(dimethylamino)methyl]phenyl]phenoxy]-N-(3-fluorophenyl)piperidine-1-carboxamide has a molecular weight of 447.55 g/mol, XLogP of 5.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[(dimethylamino)methyl]phenyl]phenoxy]-N-(3-fluorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 24732865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).