N-[3-(4-aminopiperidine-1-carbonyl)-5-(trifluoromethyl)phenyl]acetamide;hydrochloride

C15H19ClF3N3O2 — CID 119374898

IUPACN-[3-(4-aminopiperidine-1-carbonyl)-5-(trifluoromethyl)phenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1cc(C(=O)N2CCC(N)CC2)cc(C(F)(F)F)c1.Cl
InChIInChI=1S/C15H18F3N3O2.ClH/c1-9(22)20-13-7-10(6-11(8-13)15(16,17)18)14(23)21-4-2-12(19)3-5-21;/h6-8,12H,2-5,19H2,1H3,(H,20,22);1H
InChIKeyFQVVAOVCYPDNSC-UHFFFAOYSA-N
MW365.78 g/mol
LogP2.65
Rot. Bonds2

About N-[3-(4-aminopiperidine-1-carbonyl)-5-(trifluoromethyl)phenyl]acetamide;hydrochloride

N-[3-(4-aminopiperidine-1-carbonyl)-5-(trifluoromethyl)phenyl]acetamide;hydrochloride (PubChem CID 119374898) has the molecular formula C15H19ClF3N3O2 and a molecular weight of 365.78 g/mol. Its IUPAC name is N-[3-(4-aminopiperidine-1-carbonyl)-5-(trifluoromethyl)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(4-aminopiperidine-1-carbonyl)-5-(trifluoromethyl)phenyl]acetamide;hydrochloride
PubChem CID119374898
Molecular FormulaC15H19ClF3N3O2
Molecular Weight365.78 g/mol
Exact Mass365.11
IUPAC NameN-[3-(4-aminopiperidine-1-carbonyl)-5-(trifluoromethyl)phenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1cc(C(=O)N2CCC(N)CC2)cc(C(F)(F)F)c1.Cl
InChIInChI=1S/C15H18F3N3O2.ClH/c1-9(22)20-13-7-10(6-11(8-13)15(16,17)18)14(23)21-4-2-12(19)3-5-21;/h6-8,12H,2-5,19H2,1H3,(H,20,22);1H
InChIKeyFQVVAOVCYPDNSC-UHFFFAOYSA-N
XLogP2.65
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.78
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-5-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 120817279
N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]-5-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119646337
N-[3-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-5-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119623576
N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-5-(trifluoromethyl)phenyl]acetamide
CID 119485287
(4-aminopiperidin-1-yl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanone
CID 119377027
N-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-5-(trifluoromethyl)phenyl]acetamide
CID 119632784
N-[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-5-(trifluoromethyl)phenyl]acetamide
CID 120807147
[(3S)-3-aminopyrrolidin-1-yl]-[3-fluoro-5-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119934620
[3-(morpholine-4-carbonyl)-5-(trifluoromethyl)phenyl]urea
CID 154061732
4-[3-acetamido-5-(trifluoromethyl)benzoyl]morpholine-3-carboxylic acid
CID 120521872
N-[3-acetamido-5-[(4R)-4-methylazepane-1-carbonyl]phenyl]acetamide
CID 95040869
(3-aminopyrrolidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119483027

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-aminopiperidine-1-carbonyl)-5-(trifluoromethyl)phenyl]acetamide;hydrochloride?
The IUPAC name of N-[3-(4-aminopiperidine-1-carbonyl)-5-(trifluoromethyl)phenyl]acetamide;hydrochloride (CID 119374898) is N-[3-(4-aminopiperidine-1-carbonyl)-5-(trifluoromethyl)phenyl]acetamide;hydrochloride.
What is the SMILES notation for N-[3-(4-aminopiperidine-1-carbonyl)-5-(trifluoromethyl)phenyl]acetamide;hydrochloride?
The canonical SMILES for N-[3-(4-aminopiperidine-1-carbonyl)-5-(trifluoromethyl)phenyl]acetamide;hydrochloride is CC(=O)Nc1cc(C(=O)N2CCC(N)CC2)cc(C(F)(F)F)c1.Cl.
What is the InChIKey of N-[3-(4-aminopiperidine-1-carbonyl)-5-(trifluoromethyl)phenyl]acetamide;hydrochloride?
The InChIKey is FQVVAOVCYPDNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O2.ClH/c1-9(22)20-13-7-10(6-11(8-13)15(16,17)18)14(23)21-4-2-12(19)3-5-21;/h6-8,12H,2-5,19H2,1H3,(H,20,22);1H.
What are the key properties of N-[3-(4-aminopiperidine-1-carbonyl)-5-(trifluoromethyl)phenyl]acetamide;hydrochloride?
N-[3-(4-aminopiperidine-1-carbonyl)-5-(trifluoromethyl)phenyl]acetamide;hydrochloride has a molecular weight of 365.78 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-aminopiperidine-1-carbonyl)-5-(trifluoromethyl)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 119374898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).