4-benzamido-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide

C21H22F3N3O2 — CID 127163779

IUPAC4-benzamido-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide
SMILESO=C(NC1CCN(C(=O)NCc2cccc(C(F)(F)F)c2)CC1)c1ccccc1
InChIInChI=1S/C21H22F3N3O2/c22-21(23,24)17-8-4-5-15(13-17)14-25-20(29)27-11-9-18(10-12-27)26-19(28)16-6-2-1-3-7-16/h1-8,13,18H,9-12,14H2,(H,25,29)(H,26,28)
InChIKeyPLJPFNLOGXTFOI-UHFFFAOYSA-N
MW405.42 g/mol
LogP3.81
Rot. Bonds4

About 4-benzamido-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide

4-benzamido-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide (PubChem CID 127163779) has the molecular formula C21H22F3N3O2 and a molecular weight of 405.42 g/mol. Its IUPAC name is 4-benzamido-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-benzamido-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide
PubChem CID127163779
Molecular FormulaC21H22F3N3O2
Molecular Weight405.42 g/mol
Exact Mass405.17
IUPAC Name4-benzamido-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide
SMILESO=C(NC1CCN(C(=O)NCc2cccc(C(F)(F)F)c2)CC1)c1ccccc1
InChIInChI=1S/C21H22F3N3O2/c22-21(23,24)17-8-4-5-15(13-17)14-25-20(29)27-11-9-18(10-12-27)26-19(28)16-6-2-1-3-7-16/h1-8,13,18H,9-12,14H2,(H,25,29)(H,26,28)
InChIKeyPLJPFNLOGXTFOI-UHFFFAOYSA-N
XLogP3.81
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.42
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-benzoyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide
CID 42062876
4-benzoyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide
CID 9467071
N-benzyl-4-[(3-fluorobenzoyl)amino]piperidine-1-carboxamide
CID 24792699
N-[1-(benzylcarbamoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47836760
N-benzyl-4-[(4-methoxybenzoyl)amino]piperidine-1-carboxamide
CID 24793478
N-benzyl-3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]piperidine-1-carboxamide
CID 45237908
benzyl 4-[[4-(trifluoromethyl)benzoyl]amino]piperidine-1-carboxylate
CID 108563054
methyl 2-[(4-benzamidopiperidine-1-carbonyl)amino]acetate
CID 142124553
N-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]benzamide
CID 26887208
N-[[3-(trifluoromethyl)phenyl]methyl]-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carboxamide
CID 27517979
5-[4-(cyclopropylcarbamoyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 117088284
2,6-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]morpholine-4-carboxamide
CID 51274160

Frequently Asked Questions

What is the IUPAC name of 4-benzamido-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide?
The IUPAC name of 4-benzamido-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide (CID 127163779) is 4-benzamido-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-benzamido-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-benzamido-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide is O=C(NC1CCN(C(=O)NCc2cccc(C(F)(F)F)c2)CC1)c1ccccc1.
What is the InChIKey of 4-benzamido-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide?
The InChIKey is PLJPFNLOGXTFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N3O2/c22-21(23,24)17-8-4-5-15(13-17)14-25-20(29)27-11-9-18(10-12-27)26-19(28)16-6-2-1-3-7-16/h1-8,13,18H,9-12,14H2,(H,25,29)(H,26,28).
What are the key properties of 4-benzamido-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide?
4-benzamido-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide has a molecular weight of 405.42 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzamido-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 127163779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).