5-[4-(4-fluorophenoxy)piperidine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide

C30H32F2N4O3 — CID 58073378

IUPAC5-[4-(4-fluorophenoxy)piperidine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide
SMILESO=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1ccc(C(=O)N2CCC(Oc3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C30H32F2N4O3/c31-23-4-1-21(2-5-23)20-35-15-11-25(12-16-35)34-29(37)28-10-3-22(19-33-28)30(38)36-17-13-27(14-18-36)39-26-8-6-24(32)7-9-26/h1-10,19,25,27H,11-18,20H2,(H,34,37)
InChIKeyYUSQDVWUKSSAEC-UHFFFAOYSA-N
MW534.61 g/mol
LogP4.44
Rot. Bonds7

About 5-[4-(4-fluorophenoxy)piperidine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide

5-[4-(4-fluorophenoxy)piperidine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide (PubChem CID 58073378) has the molecular formula C30H32F2N4O3 and a molecular weight of 534.61 g/mol. Its IUPAC name is 5-[4-(4-fluorophenoxy)piperidine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-(4-fluorophenoxy)piperidine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide
PubChem CID58073378
Molecular FormulaC30H32F2N4O3
Molecular Weight534.61 g/mol
Exact Mass534.24
IUPAC Name5-[4-(4-fluorophenoxy)piperidine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide
SMILESO=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1ccc(C(=O)N2CCC(Oc3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C30H32F2N4O3/c31-23-4-1-21(2-5-23)20-35-15-11-25(12-16-35)34-29(37)28-10-3-22(19-33-28)30(38)36-17-13-27(14-18-36)39-26-8-6-24(32)7-9-26/h1-10,19,25,27H,11-18,20H2,(H,34,37)
InChIKeyYUSQDVWUKSSAEC-UHFFFAOYSA-N
XLogP4.44
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.61
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[4-(4-fluorophenoxy)piperidine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide with MolForge

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Related Compounds

6-(3-methoxyphenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 59743926
6-cyano-N-[(3R)-3-[4-[4-(2-methoxyethoxy)-N-[(4-methyl-3-pyridinyl)methyl]anilino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide
CID 44511871
6-Fluoro-n-((r)-3-{4-[(4-methoxy-phenyl)-(4-methyl-pyridin-3-ylmethyl)-amino]-piperidin-1-yl}-butyl)-2,4-dimethyl-nicotinamide
CID 44511934
N-(1-(4-cyanobenzyl)piperidin-4-yl)-5-(4-(4-methoxybenzyl) piperidine-1-carbonyl)picolinamide
CID 66710649
3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(2-methoxyphenyl)pyridine-2-carboxamide
CID 68187495
N-[4-[[3-[[5-(trifluoromethyl)-2-pyridyl]oxy]phenyl]methylene]cyclohexyl]-pyridine-3-carboxamide
CID 89463724
4-(4-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamido)-2-fluorophenoxy)-N-(3-morpholinopropyl) picolinamide (9h)
CID 126842927
N-(4-((2-([1,4'-bipiperidine]-1'-carbonyl) pyridin-4-yl) oxy)-3-fluorophenyl)-1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide (9o)
CID 126842930
6-(2-fluoranylpyridin-4-yl)-~{N}-[(1~{R})-1-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 168276974
example 31 [WO2018183145]
CID 135349311
N-[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 44586088
5-N-[(3R)-3-[4-[4-methoxy-N-[(4-methyl-3-pyridinyl)methyl]anilino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-propan-2-ylpyridine-2,5-dicarboxamide
CID 57402801

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-fluorophenoxy)piperidine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide?
The IUPAC name of 5-[4-(4-fluorophenoxy)piperidine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide (CID 58073378) is 5-[4-(4-fluorophenoxy)piperidine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[4-(4-fluorophenoxy)piperidine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-[4-(4-fluorophenoxy)piperidine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide is O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1ccc(C(=O)N2CCC(Oc3ccc(F)cc3)CC2)cn1.
What is the InChIKey of 5-[4-(4-fluorophenoxy)piperidine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide?
The InChIKey is YUSQDVWUKSSAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32F2N4O3/c31-23-4-1-21(2-5-23)20-35-15-11-25(12-16-35)34-29(37)28-10-3-22(19-33-28)30(38)36-17-13-27(14-18-36)39-26-8-6-24(32)7-9-26/h1-10,19,25,27H,11-18,20H2,(H,34,37).
What are the key properties of 5-[4-(4-fluorophenoxy)piperidine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide?
5-[4-(4-fluorophenoxy)piperidine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide has a molecular weight of 534.61 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-fluorophenoxy)piperidine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 58073378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).