1-[(4-chloro-2-fluorophenyl)methyl]-N-(1-phenoxypropan-2-yl)piperidine-4-carboxamide

C22H26ClFN2O2 — CID 133189759

IUPAC1-[(4-chloro-2-fluorophenyl)methyl]-N-(1-phenoxypropan-2-yl)piperidine-4-carboxamide
SMILESCC(COc1ccccc1)NC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1
InChIInChI=1S/C22H26ClFN2O2/c1-16(15-28-20-5-3-2-4-6-20)25-22(27)17-9-11-26(12-10-17)14-18-7-8-19(23)13-21(18)24/h2-8,13,16-17H,9-12,14-15H2,1H3,(H,25,27)
InChIKeyFNHCAJDBTZGHKI-UHFFFAOYSA-N
MW404.91 g/mol
LogP4.27
Rot. Bonds7

About 1-[(4-chloro-2-fluorophenyl)methyl]-N-(1-phenoxypropan-2-yl)piperidine-4-carboxamide

1-[(4-chloro-2-fluorophenyl)methyl]-N-(1-phenoxypropan-2-yl)piperidine-4-carboxamide (PubChem CID 133189759) has the molecular formula C22H26ClFN2O2 and a molecular weight of 404.91 g/mol. Its IUPAC name is 1-[(4-chloro-2-fluorophenyl)methyl]-N-(1-phenoxypropan-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(4-chloro-2-fluorophenyl)methyl]-N-(1-phenoxypropan-2-yl)piperidine-4-carboxamide
PubChem CID133189759
Molecular FormulaC22H26ClFN2O2
Molecular Weight404.91 g/mol
Exact Mass404.17
IUPAC Name1-[(4-chloro-2-fluorophenyl)methyl]-N-(1-phenoxypropan-2-yl)piperidine-4-carboxamide
SMILESCC(COc1ccccc1)NC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1
InChIInChI=1S/C22H26ClFN2O2/c1-16(15-28-20-5-3-2-4-6-20)25-22(27)17-9-11-26(12-10-17)14-18-7-8-19(23)13-21(18)24/h2-8,13,16-17H,9-12,14-15H2,1H3,(H,25,27)
InChIKeyFNHCAJDBTZGHKI-UHFFFAOYSA-N
XLogP4.27
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.91
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chloro-2-fluorophenyl)methyl]-N-[(1R)-1-phenylpropyl]piperidine-4-carboxamide
CID 100686841
1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-phenoxypropan-2-yl)piperidine-4-carboxamide
CID 43928593
1-[(4-chloro-2-fluorophenyl)methyl]-N-pentan-3-ylpiperidine-4-carboxamide
CID 100689176
1-[(4-chloro-2-fluorophenyl)methyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide
CID 100683953
1-[(4-chloro-2-fluorophenyl)methyl]-N-phenylpiperidine-4-carboxamide
CID 99826811
1-[(4-chlorophenyl)methyl]-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]piperidine-4-carboxamide
CID 94013561
1-[(4-chloro-2-fluorophenyl)methyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 100686799
1-[(2-fluorophenyl)methyl]-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]piperidine-4-carboxamide
CID 94013499
N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 94013550
1-[(4-chloro-2-fluorophenyl)methyl]-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]piperidine-4-carboxamide
CID 100686926
1-[(2-chlorophenyl)methyl]-N-[(2S)-1-methoxypropan-2-yl]piperidine-4-carboxamide
CID 28630305
1-benzyl-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]piperidine-4-carboxamide
CID 94013477

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-2-fluorophenyl)methyl]-N-(1-phenoxypropan-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[(4-chloro-2-fluorophenyl)methyl]-N-(1-phenoxypropan-2-yl)piperidine-4-carboxamide (CID 133189759) is 1-[(4-chloro-2-fluorophenyl)methyl]-N-(1-phenoxypropan-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(4-chloro-2-fluorophenyl)methyl]-N-(1-phenoxypropan-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(4-chloro-2-fluorophenyl)methyl]-N-(1-phenoxypropan-2-yl)piperidine-4-carboxamide is CC(COc1ccccc1)NC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1.
What is the InChIKey of 1-[(4-chloro-2-fluorophenyl)methyl]-N-(1-phenoxypropan-2-yl)piperidine-4-carboxamide?
The InChIKey is FNHCAJDBTZGHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClFN2O2/c1-16(15-28-20-5-3-2-4-6-20)25-22(27)17-9-11-26(12-10-17)14-18-7-8-19(23)13-21(18)24/h2-8,13,16-17H,9-12,14-15H2,1H3,(H,25,27).
What are the key properties of 1-[(4-chloro-2-fluorophenyl)methyl]-N-(1-phenoxypropan-2-yl)piperidine-4-carboxamide?
1-[(4-chloro-2-fluorophenyl)methyl]-N-(1-phenoxypropan-2-yl)piperidine-4-carboxamide has a molecular weight of 404.91 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-2-fluorophenyl)methyl]-N-(1-phenoxypropan-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 133189759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).