N-(3-methylbutan-2-yl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide

C19H25F3N2O2 — CID 46689590

IUPACN-(3-methylbutan-2-yl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
SMILESCC(C)C(C)NC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C19H25F3N2O2/c1-12(2)13(3)23-17(25)14-8-10-24(11-9-14)18(26)15-4-6-16(7-5-15)19(20,21)22/h4-7,12-14H,8-11H2,1-3H3,(H,23,25)
InChIKeyHMQBBNNJECJXTL-UHFFFAOYSA-N
MW370.42 g/mol
LogP3.72
Rot. Bonds4

About N-(3-methylbutan-2-yl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide

N-(3-methylbutan-2-yl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide (PubChem CID 46689590) has the molecular formula C19H25F3N2O2 and a molecular weight of 370.42 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
PubChem CID46689590
Molecular FormulaC19H25F3N2O2
Molecular Weight370.42 g/mol
Exact Mass370.19
IUPAC NameN-(3-methylbutan-2-yl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
SMILESCC(C)C(C)NC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C19H25F3N2O2/c1-12(2)13(3)23-17(25)14-8-10-24(11-9-14)18(26)15-4-6-16(7-5-15)19(20,21)22/h4-7,12-14H,8-11H2,1-3H3,(H,23,25)
InChIKeyHMQBBNNJECJXTL-UHFFFAOYSA-N
XLogP3.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-propan-2-yl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 17440941
1-(4-methylbenzoyl)-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide
CID 94794763
N-[1-(4-propan-2-ylphenyl)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 43055424
N-ethyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 51309590
N-cyclopentyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 26017391
N-[1-(3-acetamidophenyl)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 55585994
N-(3-hydroxypropyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 78854527
N-[2-(propan-2-ylcarbamoyl)phenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 55672910
N-[2-(dimethylamino)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 86915487
N-pyridin-4-yl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 41373176
N-[2-(tert-butylamino)-2-oxoethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 25471747
1-(4-chlorobenzoyl)-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 7961983

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutan-2-yl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide?
The IUPAC name of N-(3-methylbutan-2-yl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide (CID 46689590) is N-(3-methylbutan-2-yl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3-methylbutan-2-yl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide?
The canonical SMILES for N-(3-methylbutan-2-yl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide is CC(C)C(C)NC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of N-(3-methylbutan-2-yl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide?
The InChIKey is HMQBBNNJECJXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N2O2/c1-12(2)13(3)23-17(25)14-8-10-24(11-9-14)18(26)15-4-6-16(7-5-15)19(20,21)22/h4-7,12-14H,8-11H2,1-3H3,(H,23,25).
What are the key properties of N-(3-methylbutan-2-yl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide?
N-(3-methylbutan-2-yl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide has a molecular weight of 370.42 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-yl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 46689590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).