N-[2-(tert-butylamino)-2-oxoethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide

C20H26F3N3O3 — CID 25471747

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
SMILESCC(C)(C)NC(=O)CNC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C20H26F3N3O3/c1-19(2,3)25-16(27)12-24-17(28)13-8-10-26(11-9-13)18(29)14-4-6-15(7-5-14)20(21,22)23/h4-7,13H,8-12H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyXQMQZKMAWFPVFB-UHFFFAOYSA-N
MW413.44 g/mol
LogP2.59
Rot. Bonds4

About N-[2-(tert-butylamino)-2-oxoethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide

N-[2-(tert-butylamino)-2-oxoethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide (PubChem CID 25471747) has the molecular formula C20H26F3N3O3 and a molecular weight of 413.44 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
PubChem CID25471747
Molecular FormulaC20H26F3N3O3
Molecular Weight413.44 g/mol
Exact Mass413.19
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
SMILESCC(C)(C)NC(=O)CNC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C20H26F3N3O3/c1-19(2,3)25-16(27)12-24-17(28)13-8-10-26(11-9-13)18(29)14-4-6-15(7-5-14)20(21,22)23/h4-7,13H,8-12H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyXQMQZKMAWFPVFB-UHFFFAOYSA-N
XLogP2.59
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.44
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 51309590
N-[2-(dimethylamino)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 86915487
N-[3-oxo-3-(propylamino)propyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 55976217
N-(3-hydroxypropyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 78854527
N-[2-(diethylamino)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 55486323
N-propan-2-yl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 17440941
N-[(2-methylphenyl)methyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 26114390
N-(3-phenylprop-2-ynyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 55510350
N'-[2-(4-methoxyanilino)acetyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carbohydrazide
CID 55497462
N-(3-methylbutan-2-yl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 46689590
1-[4-(trifluoromethyl)benzoyl]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]piperidine-4-carboxamide
CID 55934156
N-cyclopentyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 26017391

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide (CID 25471747) is N-[2-(tert-butylamino)-2-oxoethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide is CC(C)(C)NC(=O)CNC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide?
The InChIKey is XQMQZKMAWFPVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F3N3O3/c1-19(2,3)25-16(27)12-24-17(28)13-8-10-26(11-9-13)18(29)14-4-6-15(7-5-14)20(21,22)23/h4-7,13H,8-12H2,1-3H3,(H,24,28)(H,25,27).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide?
N-[2-(tert-butylamino)-2-oxoethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide has a molecular weight of 413.44 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 25471747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).