N-(4-methoxyphenyl)-1-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]piperidine-4-carboxamide

C26H30F3N3O3 — CID 42693373

IUPACN-(4-methoxyphenyl)-1-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(C3CCN(C(=O)c4cccc(C(F)(F)F)c4)CC3)CC2)cc1
InChIInChI=1S/C26H30F3N3O3/c1-35-23-7-5-21(6-8-23)30-24(33)18-9-13-31(14-10-18)22-11-15-32(16-12-22)25(34)19-3-2-4-20(17-19)26(27,28)29/h2-8,17-18,22H,9-16H2,1H3,(H,30,33)
InChIKeyOMLPPXJFWSPUOI-UHFFFAOYSA-N
MW489.54 g/mol
LogP4.67
Rot. Bonds5

About N-(4-methoxyphenyl)-1-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]piperidine-4-carboxamide

N-(4-methoxyphenyl)-1-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]piperidine-4-carboxamide (PubChem CID 42693373) has the molecular formula C26H30F3N3O3 and a molecular weight of 489.54 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]piperidine-4-carboxamide
PubChem CID42693373
Molecular FormulaC26H30F3N3O3
Molecular Weight489.54 g/mol
Exact Mass489.22
IUPAC NameN-(4-methoxyphenyl)-1-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(C3CCN(C(=O)c4cccc(C(F)(F)F)c4)CC3)CC2)cc1
InChIInChI=1S/C26H30F3N3O3/c1-35-23-7-5-21(6-8-23)30-24(33)18-9-13-31(14-10-18)22-11-15-32(16-12-22)25(34)19-3-2-4-20(17-19)26(27,28)29/h2-8,17-18,22H,9-16H2,1H3,(H,30,33)
InChIKeyOMLPPXJFWSPUOI-UHFFFAOYSA-N
XLogP4.67
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.54
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[3,5-bis(trifluoromethyl)benzoyl]piperidin-4-yl]-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 42881229
N-(4-methylphenyl)-1-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]piperidine-4-carboxamide
CID 42693352
N-(4-fluorophenyl)-1-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]piperidine-4-carboxamide
CID 42693313
1-(1-acetylpiperidin-4-yl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 42693365
N-(4-tert-butylphenyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide
CID 113006982
N-(2-methoxyphenyl)-1-[3-[3-(trifluoromethyl)phenoxy]benzoyl]piperidine-4-carboxamide
CID 33339548
methyl 4-[[1-(3-methoxybenzoyl)piperidine-4-carbonyl]amino]benzoate
CID 113008009
N-(4-bromophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 39355313
N-(4-methoxyphenyl)-1-(1-propanoylpiperidin-4-yl)piperidine-4-carboxamide
CID 42881212
1-(1-benzoylpiperidin-4-yl)-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 42693290
N-(4-methoxyphenyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 113007512
N-cyclohexyl-1-[1-(3-methoxybenzoyl)piperidin-4-yl]piperidine-4-carboxamide
CID 42693267

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-1-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-1-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]piperidine-4-carboxamide (CID 42693373) is N-(4-methoxyphenyl)-1-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-1-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-1-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]piperidine-4-carboxamide is COc1ccc(NC(=O)C2CCN(C3CCN(C(=O)c4cccc(C(F)(F)F)c4)CC3)CC2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]piperidine-4-carboxamide?
The InChIKey is OMLPPXJFWSPUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F3N3O3/c1-35-23-7-5-21(6-8-23)30-24(33)18-9-13-31(14-10-18)22-11-15-32(16-12-22)25(34)19-3-2-4-20(17-19)26(27,28)29/h2-8,17-18,22H,9-16H2,1H3,(H,30,33).
What are the key properties of N-(4-methoxyphenyl)-1-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]piperidine-4-carboxamide?
N-(4-methoxyphenyl)-1-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]piperidine-4-carboxamide has a molecular weight of 489.54 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 42693373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).