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

C25H27F4N3O2 — CID 42693313

IUPACN-(4-fluorophenyl)-1-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)C1CCN(C2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)CC1
InChIInChI=1S/C25H27F4N3O2/c26-20-4-6-21(7-5-20)30-23(33)17-8-12-31(13-9-17)22-10-14-32(15-11-22)24(34)18-2-1-3-19(16-18)25(27,28)29/h1-7,16-17,22H,8-15H2,(H,30,33)
InChIKeyVRYRMSBQRRVZNT-UHFFFAOYSA-N
MW477.50 g/mol
LogP4.80
Rot. Bonds4

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

N-(4-fluorophenyl)-1-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]piperidine-4-carboxamide (PubChem CID 42693313) has the molecular formula C25H27F4N3O2 and a molecular weight of 477.50 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]piperidine-4-carboxamide
PubChem CID42693313
Molecular FormulaC25H27F4N3O2
Molecular Weight477.50 g/mol
Exact Mass477.20
IUPAC NameN-(4-fluorophenyl)-1-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)C1CCN(C2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)CC1
InChIInChI=1S/C25H27F4N3O2/c26-20-4-6-21(7-5-20)30-23(33)17-8-12-31(13-9-17)22-10-14-32(15-11-22)24(34)18-2-1-3-19(16-18)25(27,28)29/h1-7,16-17,22H,8-15H2,(H,30,33)
InChIKeyVRYRMSBQRRVZNT-UHFFFAOYSA-N
XLogP4.80
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.50
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylphenyl)-1-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]piperidine-4-carboxamide
CID 42693352
N-(4-methoxyphenyl)-1-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]piperidine-4-carboxamide
CID 42693373
1-(1-benzoylpiperidin-4-yl)-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 42693290
1-[1-[3,5-bis(trifluoromethyl)benzoyl]piperidin-4-yl]-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 42881229
1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 42693314
1-(3-aminobenzoyl)-N-(4-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 119768112
1-(3-fluorobenzoyl)-N-phenylpiperidine-4-carboxamide
CID 17223576
N-[3-(cyclopropanecarbonylamino)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 38324789
1-(2H-benzotriazole-5-carbonyl)-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 99816380
N-[4-(cyclopropanecarbonylamino)phenyl]-3-(trifluoromethyl)benzamide
CID 25275995
1-(3-fluorobenzoyl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 17223695
(3R)-1-[3-(trifluoromethyl)benzoyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 94082199

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-1-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]piperidine-4-carboxamide (CID 42693313) is N-(4-fluorophenyl)-1-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-1-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-1-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]piperidine-4-carboxamide is O=C(Nc1ccc(F)cc1)C1CCN(C2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)CC1.
What is the InChIKey of N-(4-fluorophenyl)-1-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]piperidine-4-carboxamide?
The InChIKey is VRYRMSBQRRVZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F4N3O2/c26-20-4-6-21(7-5-20)30-23(33)17-8-12-31(13-9-17)22-10-14-32(15-11-22)24(34)18-2-1-3-19(16-18)25(27,28)29/h1-7,16-17,22H,8-15H2,(H,30,33).
What are the key properties of N-(4-fluorophenyl)-1-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]piperidine-4-carboxamide?
N-(4-fluorophenyl)-1-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]piperidine-4-carboxamide has a molecular weight of 477.50 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 42693313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).