N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide

C19H20F3N3O3 — CID 120605153

IUPACN-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
SMILESNCc1cc(NC(=O)C2CCCCN2C(=O)c2ccco2)cc(C(F)(F)F)c1
InChIInChI=1S/C19H20F3N3O3/c20-19(21,22)13-8-12(11-23)9-14(10-13)24-17(26)15-4-1-2-6-25(15)18(27)16-5-3-7-28-16/h3,5,7-10,15H,1-2,4,6,11,23H2,(H,24,26)
InChIKeyGXABGFJRZRBZSH-UHFFFAOYSA-N
MW395.38 g/mol
LogP3.39
Rot. Bonds4

About N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide

N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide (PubChem CID 120605153) has the molecular formula C19H20F3N3O3 and a molecular weight of 395.38 g/mol. Its IUPAC name is N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
PubChem CID120605153
Molecular FormulaC19H20F3N3O3
Molecular Weight395.38 g/mol
Exact Mass395.15
IUPAC NameN-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
SMILESNCc1cc(NC(=O)C2CCCCN2C(=O)c2ccco2)cc(C(F)(F)F)c1
InChIInChI=1S/C19H20F3N3O3/c20-19(21,22)13-8-12(11-23)9-14(10-13)24-17(26)15-4-1-2-6-25(15)18(27)16-5-3-7-28-16/h3,5,7-10,15H,1-2,4,6,11,23H2,(H,24,26)
InChIKeyGXABGFJRZRBZSH-UHFFFAOYSA-N
XLogP3.39
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.38
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-bromo-3-(trifluoromethyl)phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 24658893
1-(furan-2-carbonyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-2-carboxamide
CID 55961635
methyl 2-[3-[[(2R)-1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]phenyl]acetate
CID 99589299
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 120605581
2-[4-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]phenyl]-2-methylpropanoic acid
CID 119254206
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclohexanecarboxamide;hydrochloride
CID 120605580
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclobutanecarboxamide
CID 120605415
(2S)-1-(furan-2-carbonyl)-N-[4-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide
CID 46420968
(2S)-1-(furan-2-carbonyl)-N-(2-methyl-4-pyridinyl)piperidine-2-carboxamide
CID 96526953
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 120605553
(2R)-N-(3-carbamoylphenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 32821866
N-(3-carbamoylphenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 24659016

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide?
The IUPAC name of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide (CID 120605153) is N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide.
What is the SMILES notation for N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide?
The canonical SMILES for N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide is NCc1cc(NC(=O)C2CCCCN2C(=O)c2ccco2)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide?
The InChIKey is GXABGFJRZRBZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O3/c20-19(21,22)13-8-12(11-23)9-14(10-13)24-17(26)15-4-1-2-6-25(15)18(27)16-5-3-7-28-16/h3,5,7-10,15H,1-2,4,6,11,23H2,(H,24,26).
What are the key properties of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide?
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide has a molecular weight of 395.38 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide is sourced from PubChem (CID 120605153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).