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

C26H30F3N3O2 — CID 42693352

IUPACN-(4-methylphenyl)-1-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(C3CCN(C(=O)c4cccc(C(F)(F)F)c4)CC3)CC2)cc1
InChIInChI=1S/C26H30F3N3O2/c1-18-5-7-22(8-6-18)30-24(33)19-9-13-31(14-10-19)23-11-15-32(16-12-23)25(34)20-3-2-4-21(17-20)26(27,28)29/h2-8,17,19,23H,9-16H2,1H3,(H,30,33)
InChIKeyFDBQNVAQZFCBPC-UHFFFAOYSA-N
MW473.54 g/mol
LogP4.97
Rot. Bonds4

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

N-(4-methylphenyl)-1-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]piperidine-4-carboxamide (PubChem CID 42693352) has the molecular formula C26H30F3N3O2 and a molecular weight of 473.54 g/mol. Its IUPAC name is N-(4-methylphenyl)-1-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-1-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]piperidine-4-carboxamide
PubChem CID42693352
Molecular FormulaC26H30F3N3O2
Molecular Weight473.54 g/mol
Exact Mass473.23
IUPAC NameN-(4-methylphenyl)-1-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(C3CCN(C(=O)c4cccc(C(F)(F)F)c4)CC3)CC2)cc1
InChIInChI=1S/C26H30F3N3O2/c1-18-5-7-22(8-6-18)30-24(33)19-9-13-31(14-10-19)23-11-15-32(16-12-23)25(34)20-3-2-4-21(17-20)26(27,28)29/h2-8,17,19,23H,9-16H2,1H3,(H,30,33)
InChIKeyFDBQNVAQZFCBPC-UHFFFAOYSA-N
XLogP4.97
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.54
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-1-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]piperidine-4-carboxamide
CID 42693313
N-(4-methoxyphenyl)-1-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]piperidine-4-carboxamide
CID 42693373
1-[1-[3,5-bis(trifluoromethyl)benzoyl]piperidin-4-yl]-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 42881229
1-(1-acetylpiperidin-4-yl)-N-(4-methylphenyl)piperidine-4-carboxamide
CID 42881192
1-(1-benzoylpiperidin-4-yl)-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 42693290
N-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 18281480
N-(4-phenylphenyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 46599278
N-cyclopropyl-1-[1-(3-methylbenzoyl)piperidin-4-yl]piperidine-4-carboxamide
CID 42395399
N-[4-(cyclopropanecarbonylamino)phenyl]-3-(trifluoromethyl)benzamide
CID 25275995
N-(3,4-difluorophenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113008987
N-(4-ethylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113006643
N-(4-acetylphenyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide
CID 113007858

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-1-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-(4-methylphenyl)-1-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]piperidine-4-carboxamide (CID 42693352) is N-(4-methylphenyl)-1-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-1-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-1-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]piperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(C3CCN(C(=O)c4cccc(C(F)(F)F)c4)CC3)CC2)cc1.
What is the InChIKey of N-(4-methylphenyl)-1-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]piperidine-4-carboxamide?
The InChIKey is FDBQNVAQZFCBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F3N3O2/c1-18-5-7-22(8-6-18)30-24(33)19-9-13-31(14-10-19)23-11-15-32(16-12-23)25(34)20-3-2-4-21(17-20)26(27,28)29/h2-8,17,19,23H,9-16H2,1H3,(H,30,33).
What are the key properties of N-(4-methylphenyl)-1-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]piperidine-4-carboxamide?
N-(4-methylphenyl)-1-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]piperidine-4-carboxamide has a molecular weight of 473.54 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-1-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 42693352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).