N-[(4-cyanophenyl)methyl]-N-[(3-fluorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide

C30H30FN3O3 — CID 55993592

IUPACN-[(4-cyanophenyl)methyl]-N-[(3-fluorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
SMILESN#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)C2CCCN(C(=O)CCOc3ccccc3)C2)cc1
InChIInChI=1S/C30H30FN3O3/c31-27-8-4-6-25(18-27)21-34(20-24-13-11-23(19-32)12-14-24)30(36)26-7-5-16-33(22-26)29(35)15-17-37-28-9-2-1-3-10-28/h1-4,6,8-14,18,26H,5,7,15-17,20-22H2
InChIKeyMDOLNOGBFSSTQF-UHFFFAOYSA-N
MW499.59 g/mol
LogP4.93
Rot. Bonds9

About N-[(4-cyanophenyl)methyl]-N-[(3-fluorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide

N-[(4-cyanophenyl)methyl]-N-[(3-fluorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide (PubChem CID 55993592) has the molecular formula C30H30FN3O3 and a molecular weight of 499.59 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-N-[(3-fluorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-N-[(3-fluorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
PubChem CID55993592
Molecular FormulaC30H30FN3O3
Molecular Weight499.59 g/mol
Exact Mass499.23
IUPAC NameN-[(4-cyanophenyl)methyl]-N-[(3-fluorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
SMILESN#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)C2CCCN(C(=O)CCOc3ccccc3)C2)cc1
InChIInChI=1S/C30H30FN3O3/c31-27-8-4-6-25(18-27)21-34(20-24-13-11-23(19-32)12-14-24)30(36)26-7-5-16-33(22-26)29(35)15-17-37-28-9-2-1-3-10-28/h1-4,6,8-14,18,26H,5,7,15-17,20-22H2
InChIKeyMDOLNOGBFSSTQF-UHFFFAOYSA-N
XLogP4.93
TPSA73.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.59
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(4-cyanophenyl)methyl]-N-[(3-fluorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide with MolForge

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Related Compounds

N-ethyl-N-[(3-fluorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55856025
N-[(4-methoxyphenyl)methyl]-1-(3-phenoxypropanoyl)-N-prop-2-enylpiperidine-3-carboxamide
CID 55982263
N-methyl-1-(3-phenoxypropanoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 55967324
N-methyl-1-(3-phenoxypropanoyl)-N-piperidin-4-ylpiperidine-3-carboxamide
CID 119443941
N-(cyclohexylmethyl)-N-methyl-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 55967191
N-[(2-chlorophenyl)methyl]-N-ethyl-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 60553019
1-[3-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 56512509
3-(3-fluorophenoxy)-1-piperidin-1-ylpropan-1-one
CID 60739345
3-(3-fluorophenoxy)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one
CID 93041279
N-[(4-ethylphenyl)methyl]-1-(3-phenoxypropanoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 55876010
N-[(4-cyanophenyl)methyl]-N-[(3-fluorophenyl)methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 55810863
1-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 55966112

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-N-[(3-fluorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-N-[(3-fluorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide (CID 55993592) is N-[(4-cyanophenyl)methyl]-N-[(3-fluorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-N-[(3-fluorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-N-[(3-fluorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide is N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)C2CCCN(C(=O)CCOc3ccccc3)C2)cc1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-N-[(3-fluorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide?
The InChIKey is MDOLNOGBFSSTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30FN3O3/c31-27-8-4-6-25(18-27)21-34(20-24-13-11-23(19-32)12-14-24)30(36)26-7-5-16-33(22-26)29(35)15-17-37-28-9-2-1-3-10-28/h1-4,6,8-14,18,26H,5,7,15-17,20-22H2.
What are the key properties of N-[(4-cyanophenyl)methyl]-N-[(3-fluorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide?
N-[(4-cyanophenyl)methyl]-N-[(3-fluorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide has a molecular weight of 499.59 g/mol, XLogP of 4.93, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-N-[(3-fluorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide is sourced from PubChem (CID 55993592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).