1-[(2R)-2-(4-fluorophenoxy)propanoyl]-N-phenylpiperidine-4-carboxamide

C21H23FN2O3 — CID 41499825

IUPAC1-[(2R)-2-(4-fluorophenoxy)propanoyl]-N-phenylpiperidine-4-carboxamide
SMILESC[C@@H](Oc1ccc(F)cc1)C(=O)N1CCC(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C21H23FN2O3/c1-15(27-19-9-7-17(22)8-10-19)21(26)24-13-11-16(12-14-24)20(25)23-18-5-3-2-4-6-18/h2-10,15-16H,11-14H2,1H3,(H,23,25)/t15-/m1/s1
InChIKeyQXGYGNIZHRUMTI-OAHLLOKOSA-N
MW370.42 g/mol
LogP3.47
Rot. Bonds5

About 1-[(2R)-2-(4-fluorophenoxy)propanoyl]-N-phenylpiperidine-4-carboxamide

1-[(2R)-2-(4-fluorophenoxy)propanoyl]-N-phenylpiperidine-4-carboxamide (PubChem CID 41499825) has the molecular formula C21H23FN2O3 and a molecular weight of 370.42 g/mol. Its IUPAC name is 1-[(2R)-2-(4-fluorophenoxy)propanoyl]-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2R)-2-(4-fluorophenoxy)propanoyl]-N-phenylpiperidine-4-carboxamide
PubChem CID41499825
Molecular FormulaC21H23FN2O3
Molecular Weight370.42 g/mol
Exact Mass370.17
IUPAC Name1-[(2R)-2-(4-fluorophenoxy)propanoyl]-N-phenylpiperidine-4-carboxamide
SMILESC[C@@H](Oc1ccc(F)cc1)C(=O)N1CCC(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C21H23FN2O3/c1-15(27-19-9-7-17(22)8-10-19)21(26)24-13-11-16(12-14-24)20(25)23-18-5-3-2-4-6-18/h2-10,15-16H,11-14H2,1H3,(H,23,25)/t15-/m1/s1
InChIKeyQXGYGNIZHRUMTI-OAHLLOKOSA-N
XLogP3.47
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-bromophenoxy)propanoyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 42920350
methyl 1-(2-phenoxypropanoyl)piperidine-4-carboxylate
CID 3927625
(2R)-2-(4-fluorophenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]propan-1-one
CID 25473593
1-benzoyl-N-(4-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 110298361
4-N-(4-fluorophenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150302
N-(4-fluorophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631357
(2R)-1-(4-methylpiperidin-1-yl)-2-phenoxypropan-1-one
CID 670229
1-(cyclopropanecarbonyl)-N-(4-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 47044071
1-(2-methylpropanoyl)-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide
CID 113008208
(3R)-1-[(2S)-2-(4-fluorophenoxy)propanoyl]piperidine-3-carboxylic acid
CID 51518733
N-(4-acetamidophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31669191
1-(1-oxo-1-piperidin-1-ylpropan-2-yl)-N-phenylpiperidine-4-carboxamide
CID 78817808

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(4-fluorophenoxy)propanoyl]-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-[(2R)-2-(4-fluorophenoxy)propanoyl]-N-phenylpiperidine-4-carboxamide (CID 41499825) is 1-[(2R)-2-(4-fluorophenoxy)propanoyl]-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(2R)-2-(4-fluorophenoxy)propanoyl]-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(2R)-2-(4-fluorophenoxy)propanoyl]-N-phenylpiperidine-4-carboxamide is C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCC(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 1-[(2R)-2-(4-fluorophenoxy)propanoyl]-N-phenylpiperidine-4-carboxamide?
The InChIKey is QXGYGNIZHRUMTI-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H23FN2O3/c1-15(27-19-9-7-17(22)8-10-19)21(26)24-13-11-16(12-14-24)20(25)23-18-5-3-2-4-6-18/h2-10,15-16H,11-14H2,1H3,(H,23,25)/t15-/m1/s1.
What are the key properties of 1-[(2R)-2-(4-fluorophenoxy)propanoyl]-N-phenylpiperidine-4-carboxamide?
1-[(2R)-2-(4-fluorophenoxy)propanoyl]-N-phenylpiperidine-4-carboxamide has a molecular weight of 370.42 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(4-fluorophenoxy)propanoyl]-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 41499825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).