N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-(2-methylbutanoyl)piperidine-3-carboxamide;hydrochloride

C19H27ClF3N3O2 — CID 120604600

IUPACN-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-(2-methylbutanoyl)piperidine-3-carboxamide;hydrochloride
SMILESCCC(C)C(=O)N1CCCC(C(=O)Nc2cc(CN)cc(C(F)(F)F)c2)C1.Cl
InChIInChI=1S/C19H26F3N3O2.ClH/c1-3-12(2)18(27)25-6-4-5-14(11-25)17(26)24-16-8-13(10-23)7-15(9-16)19(20,21)22;/h7-9,12,14H,3-6,10-11,23H2,1-2H3,(H,24,26);1H
InChIKeyNWZZISNDQRFPII-UHFFFAOYSA-N
MW421.89 g/mol
LogP3.81
Rot. Bonds5

About N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-(2-methylbutanoyl)piperidine-3-carboxamide;hydrochloride

N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-(2-methylbutanoyl)piperidine-3-carboxamide;hydrochloride (PubChem CID 120604600) has the molecular formula C19H27ClF3N3O2 and a molecular weight of 421.89 g/mol. Its IUPAC name is N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-(2-methylbutanoyl)piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-(2-methylbutanoyl)piperidine-3-carboxamide;hydrochloride
PubChem CID120604600
Molecular FormulaC19H27ClF3N3O2
Molecular Weight421.89 g/mol
Exact Mass421.17
IUPAC NameN-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-(2-methylbutanoyl)piperidine-3-carboxamide;hydrochloride
SMILESCCC(C)C(=O)N1CCCC(C(=O)Nc2cc(CN)cc(C(F)(F)F)c2)C1.Cl
InChIInChI=1S/C19H26F3N3O2.ClH/c1-3-12(2)18(27)25-6-4-5-14(11-25)17(26)24-16-8-13(10-23)7-15(9-16)19(20,21)22;/h7-9,12,14H,3-6,10-11,23H2,1-2H3,(H,24,26);1H
InChIKeyNWZZISNDQRFPII-UHFFFAOYSA-N
XLogP3.81
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.89
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-(2-methylbutanoyl)piperidine-3-carboxamide;hydrochloride 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-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclohexanecarboxamide;hydrochloride
CID 120605580
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 120605581
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclobutanecarboxamide
CID 120605415
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 120605553
N-[4-[3-(aminomethyl)-5-(trifluoromethyl)anilino]-4-oxobutan-2-yl]cyclopentanecarboxamide;hydrochloride
CID 120605176
N-[4-[3-(aminomethyl)-5-(trifluoromethyl)anilino]-4-oxobutan-2-yl]cyclopentanecarboxamide
CID 120605177
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-methylpentanamide
CID 120604965
ethyl 1-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]piperidine-3-carboxylate
CID 3792100
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]oxolane-3-carboxamide;hydrochloride
CID 120605354
N-(6-amino-1,3-benzodioxol-5-yl)-1-(2-methylbutanoyl)piperidine-3-carboxamide;hydrochloride
CID 119618169
trans-(1R,2R)-2-[4-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]phenyl]cyclopropane-1-carboxylic acid
CID 136584741
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-oxopiperidine-4-carboxamide
CID 120604551

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-(2-methylbutanoyl)piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-(2-methylbutanoyl)piperidine-3-carboxamide;hydrochloride (CID 120604600) is N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-(2-methylbutanoyl)piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-(2-methylbutanoyl)piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-(2-methylbutanoyl)piperidine-3-carboxamide;hydrochloride is CCC(C)C(=O)N1CCCC(C(=O)Nc2cc(CN)cc(C(F)(F)F)c2)C1.Cl.
What is the InChIKey of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-(2-methylbutanoyl)piperidine-3-carboxamide;hydrochloride?
The InChIKey is NWZZISNDQRFPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F3N3O2.ClH/c1-3-12(2)18(27)25-6-4-5-14(11-25)17(26)24-16-8-13(10-23)7-15(9-16)19(20,21)22;/h7-9,12,14H,3-6,10-11,23H2,1-2H3,(H,24,26);1H.
What are the key properties of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-(2-methylbutanoyl)piperidine-3-carboxamide;hydrochloride?
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-(2-methylbutanoyl)piperidine-3-carboxamide;hydrochloride has a molecular weight of 421.89 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-(2-methylbutanoyl)piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120604600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).