1-(naphthalene-1-carbonyl)-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-4-carboxamide

C26H24F3N3O3 — CID 112815469

IUPAC1-(naphthalene-1-carbonyl)-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-4-carboxamide
SMILESO=C(NCC(F)(F)F)c1ccc(NC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)cc1
InChIInChI=1S/C26H24F3N3O3/c27-26(28,29)16-30-23(33)18-8-10-20(11-9-18)31-24(34)19-12-14-32(15-13-19)25(35)22-7-3-5-17-4-1-2-6-21(17)22/h1-11,19H,12-16H2,(H,30,33)(H,31,34)
InChIKeyVAPJGQCQCXJDLO-UHFFFAOYSA-N
MW483.49 g/mol
LogP4.62
Rot. Bonds5

About 1-(naphthalene-1-carbonyl)-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-4-carboxamide

1-(naphthalene-1-carbonyl)-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-4-carboxamide (PubChem CID 112815469) has the molecular formula C26H24F3N3O3 and a molecular weight of 483.49 g/mol. Its IUPAC name is 1-(naphthalene-1-carbonyl)-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(naphthalene-1-carbonyl)-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-4-carboxamide
PubChem CID112815469
Molecular FormulaC26H24F3N3O3
Molecular Weight483.49 g/mol
Exact Mass483.18
IUPAC Name1-(naphthalene-1-carbonyl)-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-4-carboxamide
SMILESO=C(NCC(F)(F)F)c1ccc(NC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)cc1
InChIInChI=1S/C26H24F3N3O3/c27-26(28,29)16-30-23(33)18-8-10-20(11-9-18)31-24(34)19-12-14-32(15-13-19)25(35)22-7-3-5-17-4-1-2-6-21(17)22/h1-11,19H,12-16H2,(H,30,33)(H,31,34)
InChIKeyVAPJGQCQCXJDLO-UHFFFAOYSA-N
XLogP4.62
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.49
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(naphthalene-1-carbonyl)-N-pyridin-4-ylpiperidine-4-carboxamide
CID 27700417
N-[4-(diethylamino)phenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 46581827
N-[3-[[1-(naphthalene-1-carbonyl)piperidine-4-carbonyl]amino]phenyl]pyridine-4-carboxamide
CID 55610513
1-(4-fluorobenzoyl)-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 34757635
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 46580851
N-(2-fluorophenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 27396109
1-(naphthalene-1-carbonyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 78863914
N-(3-chloro-4-piperidin-1-ylphenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 55884883
1-(naphthalene-1-carbonyl)-N-(3-sulfamoylphenyl)piperidine-4-carboxamide
CID 27396106
1-(naphthalene-1-carbonyl)-N-[2-(4-nitroanilino)ethyl]piperidine-4-carboxamide
CID 41262875
1-(naphthalene-1-carbonyl)-N-[1-(phenylcarbamoyl)piperidin-4-yl]piperidine-4-carboxamide
CID 134042483
N-(3-aminopropyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 119405475

Frequently Asked Questions

What is the IUPAC name of 1-(naphthalene-1-carbonyl)-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(naphthalene-1-carbonyl)-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-4-carboxamide (CID 112815469) is 1-(naphthalene-1-carbonyl)-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(naphthalene-1-carbonyl)-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(naphthalene-1-carbonyl)-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-4-carboxamide is O=C(NCC(F)(F)F)c1ccc(NC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)cc1.
What is the InChIKey of 1-(naphthalene-1-carbonyl)-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-4-carboxamide?
The InChIKey is VAPJGQCQCXJDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N3O3/c27-26(28,29)16-30-23(33)18-8-10-20(11-9-18)31-24(34)19-12-14-32(15-13-19)25(35)22-7-3-5-17-4-1-2-6-21(17)22/h1-11,19H,12-16H2,(H,30,33)(H,31,34).
What are the key properties of 1-(naphthalene-1-carbonyl)-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-4-carboxamide?
1-(naphthalene-1-carbonyl)-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-4-carboxamide has a molecular weight of 483.49 g/mol, XLogP of 4.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(naphthalene-1-carbonyl)-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 112815469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).