N-[(4-chlorophenyl)-(5-fluoro-2-pyridinyl)methyl]-1-[2-(2-fluorophenoxy)ethyl]piperidine-4-carboxamide

C26H26ClF2N3O2 — CID 121413062

IUPACN-[(4-chlorophenyl)-(5-fluoro-2-pyridinyl)methyl]-1-[2-(2-fluorophenoxy)ethyl]piperidine-4-carboxamide
SMILESO=C(NC(c1ccc(Cl)cc1)c1ccc(F)cn1)C1CCN(CCOc2ccccc2F)CC1
InChIInChI=1S/C26H26ClF2N3O2/c27-20-7-5-18(6-8-20)25(23-10-9-21(28)17-30-23)31-26(33)19-11-13-32(14-12-19)15-16-34-24-4-2-1-3-22(24)29/h1-10,17,19,25H,11-16H2,(H,31,33)
InChIKeyMCEJQEMDOAWBEA-UHFFFAOYSA-N
MW485.96 g/mol
LogP5.01
Rot. Bonds8

About N-[(4-chlorophenyl)-(5-fluoro-2-pyridinyl)methyl]-1-[2-(2-fluorophenoxy)ethyl]piperidine-4-carboxamide

N-[(4-chlorophenyl)-(5-fluoro-2-pyridinyl)methyl]-1-[2-(2-fluorophenoxy)ethyl]piperidine-4-carboxamide (PubChem CID 121413062) has the molecular formula C26H26ClF2N3O2 and a molecular weight of 485.96 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-(5-fluoro-2-pyridinyl)methyl]-1-[2-(2-fluorophenoxy)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-(5-fluoro-2-pyridinyl)methyl]-1-[2-(2-fluorophenoxy)ethyl]piperidine-4-carboxamide
PubChem CID121413062
Molecular FormulaC26H26ClF2N3O2
Molecular Weight485.96 g/mol
Exact Mass485.17
IUPAC NameN-[(4-chlorophenyl)-(5-fluoro-2-pyridinyl)methyl]-1-[2-(2-fluorophenoxy)ethyl]piperidine-4-carboxamide
SMILESO=C(NC(c1ccc(Cl)cc1)c1ccc(F)cn1)C1CCN(CCOc2ccccc2F)CC1
InChIInChI=1S/C26H26ClF2N3O2/c27-20-7-5-18(6-8-20)25(23-10-9-21(28)17-30-23)31-26(33)19-11-13-32(14-12-19)15-16-34-24-4-2-1-3-22(24)29/h1-10,17,19,25H,11-16H2,(H,31,33)
InChIKeyMCEJQEMDOAWBEA-UHFFFAOYSA-N
XLogP5.01
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.96
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-5-(4-chlorophenyl)-N-[4-(4-fluorophenoxy)phenyl]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
CID 139600337
3-[2-(4-chlorophenyl)ethoxy]-4-fluoro-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 22052371
N-[(1S,2S)-3-(4-chlorophenyl)-1-methyl-2-phenylpropyl]-2-methyl-2-{[5-(trifluoromethyl)pyridin-2-yl]oxy}propanamide
CID 16098344
N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)oxypiperidin-1-yl]propanamide
CID 121318124
N-benzyl-2-[5-[4-[2-[4-[(1S,2S)-2-fluorocyclopropanecarbonyl]piperazin-1-yl]ethoxy]phenyl]-2-pyridinyl]acetamide
CID 166635524
N-[4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-[(5-chloro-2-pyridinyl)oxy]-2-methylpropanamide
CID 10366839
N-[(3-fluorophenyl)methyl]-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide
CID 11496101
2-(3-chlorophenoxy)-N-[1-(4-pyridin-2-ylbenzyl)piperidin-4-yl]acetamide
CID 11561155
2-(3-chlorophenoxy)-N-(1-((1-(4-(trifluoromethyl)phenyl)-1H-pyrrol-3-yl)methyl)piperidin-4-yl)acetamide
CID 11712898
N-[(2S,3S)-4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-[(5-chloro-2-pyridinyl)oxy]-2-methylpropanamide
CID 16098343
N-[(2-methoxyphenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide
CID 46943464
1-[2-[4-[2-[5-(4-Chlorophenyl)-2-pyridinyl]ethynyl]phenoxy]ethyl]piperidine-4-carboxamide
CID 59835725

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-(5-fluoro-2-pyridinyl)methyl]-1-[2-(2-fluorophenoxy)ethyl]piperidine-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)-(5-fluoro-2-pyridinyl)methyl]-1-[2-(2-fluorophenoxy)ethyl]piperidine-4-carboxamide (CID 121413062) is N-[(4-chlorophenyl)-(5-fluoro-2-pyridinyl)methyl]-1-[2-(2-fluorophenoxy)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)-(5-fluoro-2-pyridinyl)methyl]-1-[2-(2-fluorophenoxy)ethyl]piperidine-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)-(5-fluoro-2-pyridinyl)methyl]-1-[2-(2-fluorophenoxy)ethyl]piperidine-4-carboxamide is O=C(NC(c1ccc(Cl)cc1)c1ccc(F)cn1)C1CCN(CCOc2ccccc2F)CC1.
What is the InChIKey of N-[(4-chlorophenyl)-(5-fluoro-2-pyridinyl)methyl]-1-[2-(2-fluorophenoxy)ethyl]piperidine-4-carboxamide?
The InChIKey is MCEJQEMDOAWBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClF2N3O2/c27-20-7-5-18(6-8-20)25(23-10-9-21(28)17-30-23)31-26(33)19-11-13-32(14-12-19)15-16-34-24-4-2-1-3-22(24)29/h1-10,17,19,25H,11-16H2,(H,31,33).
What are the key properties of N-[(4-chlorophenyl)-(5-fluoro-2-pyridinyl)methyl]-1-[2-(2-fluorophenoxy)ethyl]piperidine-4-carboxamide?
N-[(4-chlorophenyl)-(5-fluoro-2-pyridinyl)methyl]-1-[2-(2-fluorophenoxy)ethyl]piperidine-4-carboxamide has a molecular weight of 485.96 g/mol, XLogP of 5.01, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-(5-fluoro-2-pyridinyl)methyl]-1-[2-(2-fluorophenoxy)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 121413062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).