1-(naphthalene-1-carbonyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide

C26H25F3N2O2 — CID 46597648

IUPAC1-(naphthalene-1-carbonyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C26H25F3N2O2/c1-17(18-9-11-21(12-10-18)26(27,28)29)30-24(32)20-13-15-31(16-14-20)25(33)23-8-4-6-19-5-2-3-7-22(19)23/h2-12,17,20H,13-16H2,1H3,(H,30,32)
InChIKeyBGZASJKMHSGWJU-UHFFFAOYSA-N
MW454.49 g/mol
LogP5.59
Rot. Bonds4

About 1-(naphthalene-1-carbonyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide

1-(naphthalene-1-carbonyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide (PubChem CID 46597648) has the molecular formula C26H25F3N2O2 and a molecular weight of 454.49 g/mol. Its IUPAC name is 1-(naphthalene-1-carbonyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(naphthalene-1-carbonyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide
PubChem CID46597648
Molecular FormulaC26H25F3N2O2
Molecular Weight454.49 g/mol
Exact Mass454.19
IUPAC Name1-(naphthalene-1-carbonyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C26H25F3N2O2/c1-17(18-9-11-21(12-10-18)26(27,28)29)30-24(32)20-13-15-31(16-14-20)25(33)23-8-4-6-19-5-2-3-7-22(19)23/h2-12,17,20H,13-16H2,1H3,(H,30,32)
InChIKeyBGZASJKMHSGWJU-UHFFFAOYSA-N
XLogP5.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.49
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 46580851
N-[1-(4-propan-2-ylphenyl)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 43055424
ethyl 4-[1-[4-(trifluoromethyl)phenyl]ethylcarbamoyl]piperidine-1-carboxylate
CID 46448992
N-[(1R)-3-methyl-1-phenylbutyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 27853385
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 27418677
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 55429946
1-(naphthalene-1-carbonyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 78863914
N-[1-(3-acetamidophenyl)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 55585994
N-(3-methylbutan-2-yl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 46689590
N-(1-aminohexan-2-yl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 119665465
N-propan-2-yl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 17440941
1-(2,2-dimethylpropanoyl)-N-(1-naphthalen-1-ylethyl)piperidine-4-carboxamide
CID 46809447

Frequently Asked Questions

What is the IUPAC name of 1-(naphthalene-1-carbonyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(naphthalene-1-carbonyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide (CID 46597648) is 1-(naphthalene-1-carbonyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(naphthalene-1-carbonyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(naphthalene-1-carbonyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide is CC(NC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-(naphthalene-1-carbonyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide?
The InChIKey is BGZASJKMHSGWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N2O2/c1-17(18-9-11-21(12-10-18)26(27,28)29)30-24(32)20-13-15-31(16-14-20)25(33)23-8-4-6-19-5-2-3-7-22(19)23/h2-12,17,20H,13-16H2,1H3,(H,30,32).
What are the key properties of 1-(naphthalene-1-carbonyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide?
1-(naphthalene-1-carbonyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide has a molecular weight of 454.49 g/mol, XLogP of 5.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(naphthalene-1-carbonyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 46597648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).