N-[(4-chlorophenyl)-(4-fluorophenyl)methyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide

C27H28ClFN2O2 — CID 121427392

IUPACN-[(4-chlorophenyl)-(4-fluorophenyl)methyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide
SMILESO=C(NC(c1ccc(F)cc1)c1ccc(Cl)cc1)C1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C27H28ClFN2O2/c28-23-10-6-20(7-11-23)26(21-8-12-24(29)13-9-21)30-27(32)22-14-16-31(17-15-22)18-19-33-25-4-2-1-3-5-25/h1-13,22,26H,14-19H2,(H,30,32)
InChIKeyRZSHFCXTABKGFJ-UHFFFAOYSA-N
MW466.98 g/mol
LogP5.48
Rot. Bonds8

About N-[(4-chlorophenyl)-(4-fluorophenyl)methyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide

N-[(4-chlorophenyl)-(4-fluorophenyl)methyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide (PubChem CID 121427392) has the molecular formula C27H28ClFN2O2 and a molecular weight of 466.98 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-(4-fluorophenyl)methyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-(4-fluorophenyl)methyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide
PubChem CID121427392
Molecular FormulaC27H28ClFN2O2
Molecular Weight466.98 g/mol
Exact Mass466.18
IUPAC NameN-[(4-chlorophenyl)-(4-fluorophenyl)methyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide
SMILESO=C(NC(c1ccc(F)cc1)c1ccc(Cl)cc1)C1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C27H28ClFN2O2/c28-23-10-6-20(7-11-23)26(21-8-12-24(29)13-9-21)30-27(32)22-14-16-31(17-15-22)18-19-33-25-4-2-1-3-5-25/h1-13,22,26H,14-19H2,(H,30,32)
InChIKeyRZSHFCXTABKGFJ-UHFFFAOYSA-N
XLogP5.48
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.98
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzhydryl-1-(2-phenoxyethyl)piperidine-4-carboxamide
CID 121427342
N-[(4-chlorophenyl)-(2-methylphenyl)methyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide;ethane
CID 145107785
(4-chlorophenyl)-(5-fluoro-2-pyridinyl)methanamine;N-[(4-chlorophenyl)-(5-fluoro-2-pyridinyl)methyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide;methane;1-(2-phenoxyethyl)piperidine-4-carboxylic acid
CID 160555588
N-[(S)-(4-chlorophenyl)-(2-fluorophenyl)methyl]-1-[2-(2,5-difluorophenoxy)ethyl]piperidine-4-carboxamide
CID 137423617
N-[(S)-(4-chlorophenyl)-pyridin-2-ylmethyl]-1-(3-phenoxypropyl)piperidine-4-carboxamide
CID 137423539
(4-chlorophenyl)-pyridin-2-ylmethanamine;N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide;1-(2-phenoxyethyl)piperidine-4-carboxylic acid
CID 161097139
1-[2-(3-chlorophenoxy)ethyl]-N-[(R)-(4-chlorophenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide
CID 137423514
N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-[2-(2,4-difluorophenoxy)ethyl]piperidine-4-carboxamide
CID 121413281
1-(2-phenoxyethyl)-N-[(R)-phenyl(pyridin-2-yl)methyl]piperidine-4-carboxamide
CID 137423471
N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-[2-(2,6-difluorophenoxy)ethyl]piperidine-4-carboxamide
CID 121413311
(Z)-but-2-ene;N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-(3-phenoxypropyl)piperidine-4-carboxamide;ethane
CID 145107795
N-[(S)-(2-chlorophenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide
CID 137423554

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-(4-fluorophenyl)methyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)-(4-fluorophenyl)methyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide (CID 121427392) is N-[(4-chlorophenyl)-(4-fluorophenyl)methyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)-(4-fluorophenyl)methyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)-(4-fluorophenyl)methyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide is O=C(NC(c1ccc(F)cc1)c1ccc(Cl)cc1)C1CCN(CCOc2ccccc2)CC1.
What is the InChIKey of N-[(4-chlorophenyl)-(4-fluorophenyl)methyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide?
The InChIKey is RZSHFCXTABKGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClFN2O2/c28-23-10-6-20(7-11-23)26(21-8-12-24(29)13-9-21)30-27(32)22-14-16-31(17-15-22)18-19-33-25-4-2-1-3-5-25/h1-13,22,26H,14-19H2,(H,30,32).
What are the key properties of N-[(4-chlorophenyl)-(4-fluorophenyl)methyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide?
N-[(4-chlorophenyl)-(4-fluorophenyl)methyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide has a molecular weight of 466.98 g/mol, XLogP of 5.48, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-(4-fluorophenyl)methyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide is sourced from PubChem (CID 121427392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).