N-[2-(2-chlorophenoxy)ethyl]-N-[(4-fluorophenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide

C26H27ClFN3O2 — CID 121413115

IUPACN-[2-(2-chlorophenoxy)ethyl]-N-[(4-fluorophenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide
SMILESO=C(C1CCNCC1)N(CCOc1ccccc1Cl)C(c1ccc(F)cc1)c1ccccn1
InChIInChI=1S/C26H27ClFN3O2/c27-22-5-1-2-7-24(22)33-18-17-31(26(32)20-12-15-29-16-13-20)25(23-6-3-4-14-30-23)19-8-10-21(28)11-9-19/h1-11,14,20,25,29H,12-13,15-18H2
InChIKeyZZMNCPYVOQRWRG-UHFFFAOYSA-N
MW467.97 g/mol
LogP4.87
Rot. Bonds8

About N-[2-(2-chlorophenoxy)ethyl]-N-[(4-fluorophenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide

N-[2-(2-chlorophenoxy)ethyl]-N-[(4-fluorophenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide (PubChem CID 121413115) has the molecular formula C26H27ClFN3O2 and a molecular weight of 467.97 g/mol. Its IUPAC name is N-[2-(2-chlorophenoxy)ethyl]-N-[(4-fluorophenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenoxy)ethyl]-N-[(4-fluorophenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide
PubChem CID121413115
Molecular FormulaC26H27ClFN3O2
Molecular Weight467.97 g/mol
Exact Mass467.18
IUPAC NameN-[2-(2-chlorophenoxy)ethyl]-N-[(4-fluorophenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide
SMILESO=C(C1CCNCC1)N(CCOc1ccccc1Cl)C(c1ccc(F)cc1)c1ccccn1
InChIInChI=1S/C26H27ClFN3O2/c27-22-5-1-2-7-24(22)33-18-17-31(26(32)20-12-15-29-16-13-20)25(23-6-3-4-14-30-23)19-8-10-21(28)11-9-19/h1-11,14,20,25,29H,12-13,15-18H2
InChIKeyZZMNCPYVOQRWRG-UHFFFAOYSA-N
XLogP4.87
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.97
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-chlorophenoxy)ethyl]-N-[(S)-(4-fluorophenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide
CID 121413065
N-[(S)-(4-fluorophenyl)-pyridin-2-ylmethyl]-N-(2-phenoxyethyl)piperidine-4-carboxamide
CID 121413387
N-[2-(2-fluorophenoxy)ethyl]-N-[(S)-(3-methoxyphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide
CID 121413013
N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-N-(4-phenoxybutyl)piperidine-4-carboxamide
CID 121413426
N-[(S)-(4-chlorophenyl)-(2-fluorophenyl)methyl]-N-[2-(2,5-difluorophenoxy)ethyl]piperidine-4-carboxamide
CID 121413326
N-[(R)-(4-fluorophenyl)-pyridin-2-ylmethyl]-4-methyl-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidine-4-carboxamide
CID 121413377
N-[(S)-(4-fluorophenyl)-pyridin-2-ylmethyl]-N-(2-methyl-1-phenoxypropan-2-yl)piperidine-4-carboxamide
CID 121412934
N-[(S)-(4-chlorophenyl)-pyridin-3-ylmethyl]-N-(2-phenoxyethyl)piperidine-4-carboxamide
CID 121413373
N-[(S)-cyclohexyl(pyridin-2-yl)methyl]-N-(2-phenoxyethyl)piperidine-4-carboxamide
CID 121413046
(1R,5R)-N-ethyl-N-[(R)-(4-fluorophenyl)-pyridin-2-ylmethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 100900530
3-(2-chloro-4-fluorophenoxy)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]propanamide
CID 55880579
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-[2-(2-chlorophenoxy)ethyl]-N-[(4-fluorophenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-(2-chlorophenoxy)ethyl]-N-[(4-fluorophenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide (CID 121413115) is N-[2-(2-chlorophenoxy)ethyl]-N-[(4-fluorophenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(2-chlorophenoxy)ethyl]-N-[(4-fluorophenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-(2-chlorophenoxy)ethyl]-N-[(4-fluorophenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide is O=C(C1CCNCC1)N(CCOc1ccccc1Cl)C(c1ccc(F)cc1)c1ccccn1.
What is the InChIKey of N-[2-(2-chlorophenoxy)ethyl]-N-[(4-fluorophenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide?
The InChIKey is ZZMNCPYVOQRWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClFN3O2/c27-22-5-1-2-7-24(22)33-18-17-31(26(32)20-12-15-29-16-13-20)25(23-6-3-4-14-30-23)19-8-10-21(28)11-9-19/h1-11,14,20,25,29H,12-13,15-18H2.
What are the key properties of N-[2-(2-chlorophenoxy)ethyl]-N-[(4-fluorophenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide?
N-[2-(2-chlorophenoxy)ethyl]-N-[(4-fluorophenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide has a molecular weight of 467.97 g/mol, XLogP of 4.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenoxy)ethyl]-N-[(4-fluorophenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide is sourced from PubChem (CID 121413115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).