N-benzyl-3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]piperidine-1-carboxamide

C22H24F3N3O2 — CID 45237908

IUPACN-benzyl-3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]piperidine-1-carboxamide
SMILESO=C(NCC1CCCN(C(=O)NCc2ccccc2)C1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H24F3N3O2/c23-22(24,25)19-10-4-9-18(12-19)20(29)26-14-17-8-5-11-28(15-17)21(30)27-13-16-6-2-1-3-7-16/h1-4,6-7,9-10,12,17H,5,8,11,13-15H2,(H,26,29)(H,27,30)
InChIKeySJHDZCUEKJKBHE-UHFFFAOYSA-N
MW419.45 g/mol
LogP4.06
Rot. Bonds5

About N-benzyl-3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]piperidine-1-carboxamide

N-benzyl-3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]piperidine-1-carboxamide (PubChem CID 45237908) has the molecular formula C22H24F3N3O2 and a molecular weight of 419.45 g/mol. Its IUPAC name is N-benzyl-3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]piperidine-1-carboxamide
PubChem CID45237908
Molecular FormulaC22H24F3N3O2
Molecular Weight419.45 g/mol
Exact Mass419.18
IUPAC NameN-benzyl-3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]piperidine-1-carboxamide
SMILESO=C(NCC1CCCN(C(=O)NCc2ccccc2)C1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H24F3N3O2/c23-22(24,25)19-10-4-9-18(12-19)20(29)26-14-17-8-5-11-28(15-17)21(30)27-13-16-6-2-1-3-7-16/h1-4,6-7,9-10,12,17H,5,8,11,13-15H2,(H,26,29)(H,27,30)
InChIKeySJHDZCUEKJKBHE-UHFFFAOYSA-N
XLogP4.06
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.45
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[[3-(benzamidomethyl)piperidine-1-carbonyl]amino]methyl]benzoic acid
CID 122020331
4-fluoro-N-[[(3R)-1-[3-(trifluoromethyl)benzoyl]piperidin-3-yl]methyl]benzamide
CID 42356810
4-benzoyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide
CID 42062876
4-benzamido-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide
CID 127163779
4-benzoyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide
CID 9467071
4-[3-(benzamidomethyl)piperidine-1-carbonyl]benzoic acid
CID 119183635
N-[[(3R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-3-yl]methyl]-3-(trifluoromethyl)benzamide
CID 26334003
3-(trifluoromethyl)-N-[[3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide
CID 4076220
N-[[3-(cyclopentylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-(trifluoromethyl)benzamide
CID 69471068
N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-3-(trifluoromethyl)benzamide
CID 90567503
1-N-benzyl-3-N-(cyclohexylmethyl)piperidine-1,3-dicarboxamide
CID 43815765
N-[3-(benzylcarbamoyl)phenyl]-4-[3-(trifluoromethyl)phenoxy]piperidine-1-carboxamide
CID 145485865

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]piperidine-1-carboxamide?
The IUPAC name of N-benzyl-3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]piperidine-1-carboxamide (CID 45237908) is N-benzyl-3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-benzyl-3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]piperidine-1-carboxamide?
The canonical SMILES for N-benzyl-3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]piperidine-1-carboxamide is O=C(NCC1CCCN(C(=O)NCc2ccccc2)C1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-benzyl-3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]piperidine-1-carboxamide?
The InChIKey is SJHDZCUEKJKBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N3O2/c23-22(24,25)19-10-4-9-18(12-19)20(29)26-14-17-8-5-11-28(15-17)21(30)27-13-16-6-2-1-3-7-16/h1-4,6-7,9-10,12,17H,5,8,11,13-15H2,(H,26,29)(H,27,30).
What are the key properties of N-benzyl-3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]piperidine-1-carboxamide?
N-benzyl-3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]piperidine-1-carboxamide has a molecular weight of 419.45 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 45237908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).