N-[(4-fluorophenyl)methyl]-4-(2-pyridin-4-yloxyethyl)piperidine-1-carboxamide

C20H24FN3O2 — CID 53150982

IUPACN-[(4-fluorophenyl)methyl]-4-(2-pyridin-4-yloxyethyl)piperidine-1-carboxamide
SMILESO=C(NCc1ccc(F)cc1)N1CCC(CCOc2ccncc2)CC1
InChIInChI=1S/C20H24FN3O2/c21-18-3-1-17(2-4-18)15-23-20(25)24-12-7-16(8-13-24)9-14-26-19-5-10-22-11-6-19/h1-6,10-11,16H,7-9,12-15H2,(H,23,25)
InChIKeyYBOFYQAFGWNLLD-UHFFFAOYSA-N
MW357.43 g/mol
LogP3.61
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-4-(2-pyridin-4-yloxyethyl)piperidine-1-carboxamide

N-[(4-fluorophenyl)methyl]-4-(2-pyridin-4-yloxyethyl)piperidine-1-carboxamide (PubChem CID 53150982) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-(2-pyridin-4-yloxyethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-(2-pyridin-4-yloxyethyl)piperidine-1-carboxamide
PubChem CID53150982
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC NameN-[(4-fluorophenyl)methyl]-4-(2-pyridin-4-yloxyethyl)piperidine-1-carboxamide
SMILESO=C(NCc1ccc(F)cc1)N1CCC(CCOc2ccncc2)CC1
InChIInChI=1S/C20H24FN3O2/c21-18-3-1-17(2-4-18)15-23-20(25)24-12-7-16(8-13-24)9-14-26-19-5-10-22-11-6-19/h1-6,10-11,16H,7-9,12-15H2,(H,23,25)
InChIKeyYBOFYQAFGWNLLD-UHFFFAOYSA-N
XLogP3.61
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-Fluorophenoxy)-3-(piperidin-4-yl)pyridine
CID 44133851
1-[(5-Fluoro-2-pyridinyl)methyl]-1-(1-methylpiperidin-4-yl)-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]urea
CID 168286940
4-(pyridin-4-yloxy)-N-(2-(trifluoromethoxy)benzyl)piperidine-1-carboxamide
CID 46871779
N-(2,4-dichlorobenzyl)-4-(pyridin-4-yloxy)piperidine-1-carboxamide
CID 46891218
3-[[4-(3-Fluoropropoxy)phenyl]methyl]-1-[(5-fluoro-2-pyridinyl)methyl]-1-(1-methylpiperidin-4-yl)urea
CID 164143991
3-[[4-(4,4-Difluorobutoxy)phenyl]methyl]-1-[(5-fluoro-2-pyridinyl)methyl]-1-(1-methylpiperidin-4-yl)urea
CID 168275375
3-[[4-(2,2-Difluoroethoxy)phenyl]methyl]-1-[(5-fluoro-2-pyridinyl)methyl]-1-(1-methylpiperidin-4-yl)urea
CID 168275647
3-[[4-(2-Fluoroethoxy)phenyl]methyl]-1-[(5-fluoro-2-pyridinyl)methyl]-1-(1-methylpiperidin-4-yl)urea
CID 168276277
1-[(5-Fluoro-2-pyridinyl)methyl]-3-[[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1-(1-methylpiperidin-4-yl)urea
CID 168279189
3-[[4-(2-Fluoro-2-methylpropoxy)phenyl]methyl]-1-[(5-fluoro-2-pyridinyl)methyl]-1-(1-methylpiperidin-4-yl)urea
CID 168280186
1-[(5-Fluoro-2-pyridinyl)methyl]-1-(1-methylpiperidin-4-yl)-3-[[4-(3,3,3-trifluoropropoxy)phenyl]methyl]urea
CID 168281361
1-[(5-Fluoro-2-pyridinyl)methyl]-1-(1-methylpiperidin-4-yl)-3-[[4-(4,4,4-trifluorobutoxy)phenyl]methyl]urea
CID 168282398

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-(2-pyridin-4-yloxyethyl)piperidine-1-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-(2-pyridin-4-yloxyethyl)piperidine-1-carboxamide (CID 53150982) is N-[(4-fluorophenyl)methyl]-4-(2-pyridin-4-yloxyethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-(2-pyridin-4-yloxyethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-(2-pyridin-4-yloxyethyl)piperidine-1-carboxamide is O=C(NCc1ccc(F)cc1)N1CCC(CCOc2ccncc2)CC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-(2-pyridin-4-yloxyethyl)piperidine-1-carboxamide?
The InChIKey is YBOFYQAFGWNLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2/c21-18-3-1-17(2-4-18)15-23-20(25)24-12-7-16(8-13-24)9-14-26-19-5-10-22-11-6-19/h1-6,10-11,16H,7-9,12-15H2,(H,23,25).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-(2-pyridin-4-yloxyethyl)piperidine-1-carboxamide?
N-[(4-fluorophenyl)methyl]-4-(2-pyridin-4-yloxyethyl)piperidine-1-carboxamide has a molecular weight of 357.43 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-(2-pyridin-4-yloxyethyl)piperidine-1-carboxamide is sourced from PubChem (CID 53150982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).