1-[3-benzamido-5-[4-(trifluoromethyl)phenyl]piperidine-1-carbonyl]piperidine-4-carboxamide

C26H29F3N4O3 — CID 66701330

IUPAC1-[3-benzamido-5-[4-(trifluoromethyl)phenyl]piperidine-1-carbonyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)N2CC(NC(=O)c3ccccc3)CC(c3ccc(C(F)(F)F)cc3)C2)CC1
InChIInChI=1S/C26H29F3N4O3/c27-26(28,29)21-8-6-17(7-9-21)20-14-22(31-24(35)19-4-2-1-3-5-19)16-33(15-20)25(36)32-12-10-18(11-13-32)23(30)34/h1-9,18,20,22H,10-16H2,(H2,30,34)(H,31,35)
InChIKeyHSNKGOWWFMPLNO-UHFFFAOYSA-N
MW502.54 g/mol
LogP3.61
Rot. Bonds4

About 1-[3-benzamido-5-[4-(trifluoromethyl)phenyl]piperidine-1-carbonyl]piperidine-4-carboxamide

1-[3-benzamido-5-[4-(trifluoromethyl)phenyl]piperidine-1-carbonyl]piperidine-4-carboxamide (PubChem CID 66701330) has the molecular formula C26H29F3N4O3 and a molecular weight of 502.54 g/mol. Its IUPAC name is 1-[3-benzamido-5-[4-(trifluoromethyl)phenyl]piperidine-1-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-benzamido-5-[4-(trifluoromethyl)phenyl]piperidine-1-carbonyl]piperidine-4-carboxamide
PubChem CID66701330
Molecular FormulaC26H29F3N4O3
Molecular Weight502.54 g/mol
Exact Mass502.22
IUPAC Name1-[3-benzamido-5-[4-(trifluoromethyl)phenyl]piperidine-1-carbonyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)N2CC(NC(=O)c3ccccc3)CC(c3ccc(C(F)(F)F)cc3)C2)CC1
InChIInChI=1S/C26H29F3N4O3/c27-26(28,29)21-8-6-17(7-9-21)20-14-22(31-24(35)19-4-2-1-3-5-19)16-33(15-20)25(36)32-12-10-18(11-13-32)23(30)34/h1-9,18,20,22H,10-16H2,(H2,30,34)(H,31,35)
InChIKeyHSNKGOWWFMPLNO-UHFFFAOYSA-N
XLogP3.61
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.54
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[1-(4-hydroxypiperidine-1-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]benzenecarboximidamide
CID 91124904
N-[5-[4-(difluoromethyl)phenyl]-1-(thiomorpholine-4-carbonyl)piperidin-3-yl]benzamide
CID 70854633
N-[1-(3-methylpyridine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]benzamide
CID 66762085
1-[3-phenacyl-5-[4-(trifluoromethyl)phenyl]piperidine-1-carbonyl]piperidine-4-carbonitrile
CID 149233217
N-[(3S)-1-acetylpyrrolidin-3-yl]-4-(trifluoromethyl)benzamide
CID 124508544
N-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-4-(trifluoromethyl)benzamide
CID 126780268
[1-(4-hydroxypiperidine-1-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl] hydrogen carbonate
CID 67084196
3-[[3-(trifluoromethyl)benzoyl]amino]pyrrolidine-1-carboxamide
CID 136525672
N-(4-phenylcyclohexyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 55594757
methyl 2-[[3-benzamido-5-[4-(trifluoromethoxy)phenyl]piperidine-1-carbonyl]amino]acetate
CID 66761299
N-[1-(2-morpholin-4-yl-2-oxoethyl)-5-[3-(trifluoromethyl)phenyl]piperidin-3-yl]benzamide
CID 118422568
benzyl 4-[[4-(trifluoromethyl)benzoyl]amino]piperidine-1-carboxylate
CID 108563054

Frequently Asked Questions

What is the IUPAC name of 1-[3-benzamido-5-[4-(trifluoromethyl)phenyl]piperidine-1-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-benzamido-5-[4-(trifluoromethyl)phenyl]piperidine-1-carbonyl]piperidine-4-carboxamide (CID 66701330) is 1-[3-benzamido-5-[4-(trifluoromethyl)phenyl]piperidine-1-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-benzamido-5-[4-(trifluoromethyl)phenyl]piperidine-1-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-benzamido-5-[4-(trifluoromethyl)phenyl]piperidine-1-carbonyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)N2CC(NC(=O)c3ccccc3)CC(c3ccc(C(F)(F)F)cc3)C2)CC1.
What is the InChIKey of 1-[3-benzamido-5-[4-(trifluoromethyl)phenyl]piperidine-1-carbonyl]piperidine-4-carboxamide?
The InChIKey is HSNKGOWWFMPLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F3N4O3/c27-26(28,29)21-8-6-17(7-9-21)20-14-22(31-24(35)19-4-2-1-3-5-19)16-33(15-20)25(36)32-12-10-18(11-13-32)23(30)34/h1-9,18,20,22H,10-16H2,(H2,30,34)(H,31,35).
What are the key properties of 1-[3-benzamido-5-[4-(trifluoromethyl)phenyl]piperidine-1-carbonyl]piperidine-4-carboxamide?
1-[3-benzamido-5-[4-(trifluoromethyl)phenyl]piperidine-1-carbonyl]piperidine-4-carboxamide has a molecular weight of 502.54 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-benzamido-5-[4-(trifluoromethyl)phenyl]piperidine-1-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 66701330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).