N-[(S)-(4-fluorophenyl)-pyridin-2-ylmethyl]-N-(2-phenoxyethyl)piperidine-4-carboxamide

C26H28FN3O2 — CID 121413387

IUPACN-[(S)-(4-fluorophenyl)-pyridin-2-ylmethyl]-N-(2-phenoxyethyl)piperidine-4-carboxamide
SMILESO=C(C1CCNCC1)N(CCOc1ccccc1)[C@@H](c1ccc(F)cc1)c1ccccn1
InChIInChI=1S/C26H28FN3O2/c27-22-11-9-20(10-12-22)25(24-8-4-5-15-29-24)30(26(31)21-13-16-28-17-14-21)18-19-32-23-6-2-1-3-7-23/h1-12,15,21,25,28H,13-14,16-19H2/t25-/m0/s1
InChIKeyKHRKCFZQPZFISE-VWLOTQADSA-N
MW433.53 g/mol
LogP4.22
Rot. Bonds8

About N-[(S)-(4-fluorophenyl)-pyridin-2-ylmethyl]-N-(2-phenoxyethyl)piperidine-4-carboxamide

N-[(S)-(4-fluorophenyl)-pyridin-2-ylmethyl]-N-(2-phenoxyethyl)piperidine-4-carboxamide (PubChem CID 121413387) has the molecular formula C26H28FN3O2 and a molecular weight of 433.53 g/mol. Its IUPAC name is N-[(S)-(4-fluorophenyl)-pyridin-2-ylmethyl]-N-(2-phenoxyethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(S)-(4-fluorophenyl)-pyridin-2-ylmethyl]-N-(2-phenoxyethyl)piperidine-4-carboxamide
PubChem CID121413387
Molecular FormulaC26H28FN3O2
Molecular Weight433.53 g/mol
Exact Mass433.22
IUPAC NameN-[(S)-(4-fluorophenyl)-pyridin-2-ylmethyl]-N-(2-phenoxyethyl)piperidine-4-carboxamide
SMILESO=C(C1CCNCC1)N(CCOc1ccccc1)[C@@H](c1ccc(F)cc1)c1ccccn1
InChIInChI=1S/C26H28FN3O2/c27-22-11-9-20(10-12-22)25(24-8-4-5-15-29-24)30(26(31)21-13-16-28-17-14-21)18-19-32-23-6-2-1-3-7-23/h1-12,15,21,25,28H,13-14,16-19H2/t25-/m0/s1
InChIKeyKHRKCFZQPZFISE-VWLOTQADSA-N
XLogP4.22
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-chlorophenoxy)ethyl]-N-[(4-fluorophenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide
CID 121413115
N-[2-(2-chlorophenoxy)ethyl]-N-[(S)-(4-fluorophenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide
CID 121413065
N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-N-(4-phenoxybutyl)piperidine-4-carboxamide
CID 121413426
N-[2-(2-fluorophenoxy)ethyl]-N-[(S)-(3-methoxyphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide
CID 121413013
N-[(S)-(4-fluorophenyl)-pyridin-2-ylmethyl]-N-(2-methyl-1-phenoxypropan-2-yl)piperidine-4-carboxamide
CID 121412934
N-[(S)-cyclohexyl(pyridin-2-yl)methyl]-N-(2-phenoxyethyl)piperidine-4-carboxamide
CID 121413046
N-[(S)-(4-chlorophenyl)-pyridin-3-ylmethyl]-N-(2-phenoxyethyl)piperidine-4-carboxamide
CID 121413373
N-[(R)-(4-fluorophenyl)-pyridin-2-ylmethyl]-4-methyl-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidine-4-carboxamide
CID 121413377
N-[(S)-(4-chlorophenyl)-(2-fluorophenyl)methyl]-N-[2-(2,5-difluorophenoxy)ethyl]piperidine-4-carboxamide
CID 121413326
(1R,5R)-N-ethyl-N-[(R)-(4-fluorophenyl)-pyridin-2-ylmethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 100900530
N-[2-(4-fluorophenoxy)ethyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 119321222
1-(2,2-dimethylpropanoyl)-N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-N-methylpiperidine-4-carboxamide
CID 126473148

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(4-fluorophenyl)-pyridin-2-ylmethyl]-N-(2-phenoxyethyl)piperidine-4-carboxamide?
The IUPAC name of N-[(S)-(4-fluorophenyl)-pyridin-2-ylmethyl]-N-(2-phenoxyethyl)piperidine-4-carboxamide (CID 121413387) is N-[(S)-(4-fluorophenyl)-pyridin-2-ylmethyl]-N-(2-phenoxyethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(S)-(4-fluorophenyl)-pyridin-2-ylmethyl]-N-(2-phenoxyethyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(S)-(4-fluorophenyl)-pyridin-2-ylmethyl]-N-(2-phenoxyethyl)piperidine-4-carboxamide is O=C(C1CCNCC1)N(CCOc1ccccc1)[C@@H](c1ccc(F)cc1)c1ccccn1.
What is the InChIKey of N-[(S)-(4-fluorophenyl)-pyridin-2-ylmethyl]-N-(2-phenoxyethyl)piperidine-4-carboxamide?
The InChIKey is KHRKCFZQPZFISE-VWLOTQADSA-N. The full InChI is InChI=1S/C26H28FN3O2/c27-22-11-9-20(10-12-22)25(24-8-4-5-15-29-24)30(26(31)21-13-16-28-17-14-21)18-19-32-23-6-2-1-3-7-23/h1-12,15,21,25,28H,13-14,16-19H2/t25-/m0/s1.
What are the key properties of N-[(S)-(4-fluorophenyl)-pyridin-2-ylmethyl]-N-(2-phenoxyethyl)piperidine-4-carboxamide?
N-[(S)-(4-fluorophenyl)-pyridin-2-ylmethyl]-N-(2-phenoxyethyl)piperidine-4-carboxamide has a molecular weight of 433.53 g/mol, XLogP of 4.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(4-fluorophenyl)-pyridin-2-ylmethyl]-N-(2-phenoxyethyl)piperidine-4-carboxamide is sourced from PubChem (CID 121413387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).