N-[4-(2-fluorophenoxy)phenyl]-1-[(1S,2R)-2-propylcyclopropanecarbonyl]piperidine-4-carboxamide

C25H29FN2O3 — CID 133138136

IUPACN-[4-(2-fluorophenoxy)phenyl]-1-[(1S,2R)-2-propylcyclopropanecarbonyl]piperidine-4-carboxamide
SMILESCCC[C@@H]1C[C@@H]1C(=O)N1CCC(C(=O)Nc2ccc(Oc3ccccc3F)cc2)CC1
InChIInChI=1S/C25H29FN2O3/c1-2-5-18-16-21(18)25(30)28-14-12-17(13-15-28)24(29)27-19-8-10-20(11-9-19)31-23-7-4-3-6-22(23)26/h3-4,6-11,17-18,21H,2,5,12-16H2,1H3,(H,27,29)/t18-,21+/m1/s1
InChIKeySHENSUBRLCOSDE-NQIIRXRSSA-N
MW424.52 g/mol
LogP5.23
Rot. Bonds7

About N-[4-(2-fluorophenoxy)phenyl]-1-[(1S,2R)-2-propylcyclopropanecarbonyl]piperidine-4-carboxamide

N-[4-(2-fluorophenoxy)phenyl]-1-[(1S,2R)-2-propylcyclopropanecarbonyl]piperidine-4-carboxamide (PubChem CID 133138136) has the molecular formula C25H29FN2O3 and a molecular weight of 424.52 g/mol. Its IUPAC name is N-[4-(2-fluorophenoxy)phenyl]-1-[(1S,2R)-2-propylcyclopropanecarbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2-fluorophenoxy)phenyl]-1-[(1S,2R)-2-propylcyclopropanecarbonyl]piperidine-4-carboxamide
PubChem CID133138136
Molecular FormulaC25H29FN2O3
Molecular Weight424.52 g/mol
Exact Mass424.22
IUPAC NameN-[4-(2-fluorophenoxy)phenyl]-1-[(1S,2R)-2-propylcyclopropanecarbonyl]piperidine-4-carboxamide
SMILESCCC[C@@H]1C[C@@H]1C(=O)N1CCC(C(=O)Nc2ccc(Oc3ccccc3F)cc2)CC1
InChIInChI=1S/C25H29FN2O3/c1-2-5-18-16-21(18)25(30)28-14-12-17(13-15-28)24(29)27-19-8-10-20(11-9-19)31-23-7-4-3-6-22(23)26/h3-4,6-11,17-18,21H,2,5,12-16H2,1H3,(H,27,29)/t18-,21+/m1/s1
InChIKeySHENSUBRLCOSDE-NQIIRXRSSA-N
XLogP5.23
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.52
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-fluorophenoxy)phenyl]-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
CID 26322313
1-[(2-ethylpyrimidin-5-yl)methyl]-N-[4-(2-fluorophenoxy)phenyl]piperidine-4-carboxamide
CID 42244589
N-[4-(2-fluorophenoxy)phenyl]-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 42120451
N-[4-(2-chlorophenoxy)phenyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 24529866
N-[4-(2-methoxyphenoxy)phenyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 46409832
1-(1,3-benzodioxol-4-ylmethyl)-N-[4-(2-fluorophenoxy)phenyl]piperidine-4-carboxamide
CID 42454778
N-(4-fluorophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631357
1-acetyl-N-[4-(4-chlorophenoxy)phenyl]piperidine-4-carboxamide
CID 6468150
1-(3,5-dimethoxybenzoyl)-N-[4-(2-methoxyphenoxy)phenyl]piperidine-4-carboxamide
CID 46471892
1-(cyclobutanecarbonyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 113007524
1-[(4-fluorophenyl)methyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide
CID 45014769
N-phenyl-1-[2-(4-propoxyphenoxy)acetyl]piperidine-4-carboxamide
CID 41499383

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-fluorophenoxy)phenyl]-1-[(1S,2R)-2-propylcyclopropanecarbonyl]piperidine-4-carboxamide?
The IUPAC name of N-[4-(2-fluorophenoxy)phenyl]-1-[(1S,2R)-2-propylcyclopropanecarbonyl]piperidine-4-carboxamide (CID 133138136) is N-[4-(2-fluorophenoxy)phenyl]-1-[(1S,2R)-2-propylcyclopropanecarbonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[4-(2-fluorophenoxy)phenyl]-1-[(1S,2R)-2-propylcyclopropanecarbonyl]piperidine-4-carboxamide?
The canonical SMILES for N-[4-(2-fluorophenoxy)phenyl]-1-[(1S,2R)-2-propylcyclopropanecarbonyl]piperidine-4-carboxamide is CCC[C@@H]1C[C@@H]1C(=O)N1CCC(C(=O)Nc2ccc(Oc3ccccc3F)cc2)CC1.
What is the InChIKey of N-[4-(2-fluorophenoxy)phenyl]-1-[(1S,2R)-2-propylcyclopropanecarbonyl]piperidine-4-carboxamide?
The InChIKey is SHENSUBRLCOSDE-NQIIRXRSSA-N. The full InChI is InChI=1S/C25H29FN2O3/c1-2-5-18-16-21(18)25(30)28-14-12-17(13-15-28)24(29)27-19-8-10-20(11-9-19)31-23-7-4-3-6-22(23)26/h3-4,6-11,17-18,21H,2,5,12-16H2,1H3,(H,27,29)/t18-,21+/m1/s1.
What are the key properties of N-[4-(2-fluorophenoxy)phenyl]-1-[(1S,2R)-2-propylcyclopropanecarbonyl]piperidine-4-carboxamide?
N-[4-(2-fluorophenoxy)phenyl]-1-[(1S,2R)-2-propylcyclopropanecarbonyl]piperidine-4-carboxamide has a molecular weight of 424.52 g/mol, XLogP of 5.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-fluorophenoxy)phenyl]-1-[(1S,2R)-2-propylcyclopropanecarbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 133138136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).