3-[(carbamoylamino)methyl]-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide

C17H23F3N4O2 — CID 166185990

IUPAC3-[(carbamoylamino)methyl]-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide
SMILESNC(=O)NCC1CCCN(C(=O)NCCc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C17H23F3N4O2/c18-17(19,20)14-6-2-1-5-13(14)7-8-22-16(26)24-9-3-4-12(11-24)10-23-15(21)25/h1-2,5-6,12H,3-4,7-11H2,(H,22,26)(H3,21,23,25)
InChIKeyPSFWSVYRFBKKHE-UHFFFAOYSA-N
MW372.39 g/mol
LogP2.34
Rot. Bonds5

About 3-[(carbamoylamino)methyl]-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide

3-[(carbamoylamino)methyl]-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide (PubChem CID 166185990) has the molecular formula C17H23F3N4O2 and a molecular weight of 372.39 g/mol. Its IUPAC name is 3-[(carbamoylamino)methyl]-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-[(carbamoylamino)methyl]-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide
PubChem CID166185990
Molecular FormulaC17H23F3N4O2
Molecular Weight372.39 g/mol
Exact Mass372.18
IUPAC Name3-[(carbamoylamino)methyl]-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide
SMILESNC(=O)NCC1CCCN(C(=O)NCCc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C17H23F3N4O2/c18-17(19,20)14-6-2-1-5-13(14)7-8-22-16(26)24-9-3-4-12(11-24)10-23-15(21)25/h1-2,5-6,12H,3-4,7-11H2,(H,22,26)(H3,21,23,25)
InChIKeyPSFWSVYRFBKKHE-UHFFFAOYSA-N
XLogP2.34
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-ethyl-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide
CID 95714573
3-[(3R)-1-methylpiperidin-3-yl]-N-[2-[2-(trifluoromethyl)phenyl]ethyl]propanamide
CID 97203525
2-hydroxy-1-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanone
CID 56866872
(3S)-1-(2-amino-2-oxoethyl)-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide
CID 97146004
1-[(3S)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]propan-1-one
CID 95136879
2-methyl-1-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]propan-1-one
CID 50976131
2-[2-[2-(trifluoromethyl)phenyl]ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975402
(3R)-3-[(carbamoylamino)methyl]-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine-1-carboxamide
CID 99813027
N-[2-oxo-2-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethyl]methanesulfonamide
CID 56880960
thiadiazol-4-yl-[(3S)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
CID 42122916
pyridin-2-yl-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
CID 56861683
1-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone
CID 124612859

Frequently Asked Questions

What is the IUPAC name of 3-[(carbamoylamino)methyl]-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide?
The IUPAC name of 3-[(carbamoylamino)methyl]-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide (CID 166185990) is 3-[(carbamoylamino)methyl]-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-[(carbamoylamino)methyl]-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide?
The canonical SMILES for 3-[(carbamoylamino)methyl]-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide is NC(=O)NCC1CCCN(C(=O)NCCc2ccccc2C(F)(F)F)C1.
What is the InChIKey of 3-[(carbamoylamino)methyl]-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide?
The InChIKey is PSFWSVYRFBKKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N4O2/c18-17(19,20)14-6-2-1-5-13(14)7-8-22-16(26)24-9-3-4-12(11-24)10-23-15(21)25/h1-2,5-6,12H,3-4,7-11H2,(H,22,26)(H3,21,23,25).
What are the key properties of 3-[(carbamoylamino)methyl]-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide?
3-[(carbamoylamino)methyl]-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide has a molecular weight of 372.39 g/mol, XLogP of 2.34, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(carbamoylamino)methyl]-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 166185990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).