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

C17H23ClF3N3O2 — CID 120817279

IUPACN-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-5-(trifluoromethyl)phenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1cc(C(=O)N2CCC(N)C(C)(C)C2)cc(C(F)(F)F)c1.Cl
InChIInChI=1S/C17H22F3N3O2.ClH/c1-10(24)22-13-7-11(6-12(8-13)17(18,19)20)15(25)23-5-4-14(21)16(2,3)9-23;/h6-8,14H,4-5,9,21H2,1-3H3,(H,22,24);1H
InChIKeyFXOYSJBOQZKODK-UHFFFAOYSA-N
MW393.84 g/mol
LogP3.29
Rot. Bonds2

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

N-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-5-(trifluoromethyl)phenyl]acetamide;hydrochloride (PubChem CID 120817279) has the molecular formula C17H23ClF3N3O2 and a molecular weight of 393.84 g/mol. Its IUPAC name is N-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-5-(trifluoromethyl)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-5-(trifluoromethyl)phenyl]acetamide;hydrochloride
PubChem CID120817279
Molecular FormulaC17H23ClF3N3O2
Molecular Weight393.84 g/mol
Exact Mass393.14
IUPAC NameN-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-5-(trifluoromethyl)phenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1cc(C(=O)N2CCC(N)C(C)(C)C2)cc(C(F)(F)F)c1.Cl
InChIInChI=1S/C17H22F3N3O2.ClH/c1-10(24)22-13-7-11(6-12(8-13)17(18,19)20)15(25)23-5-4-14(21)16(2,3)9-23;/h6-8,14H,4-5,9,21H2,1-3H3,(H,22,24);1H
InChIKeyFXOYSJBOQZKODK-UHFFFAOYSA-N
XLogP3.29
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.84
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4-aminopiperidine-1-carbonyl)-5-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119374898
N-[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-5-(trifluoromethyl)phenyl]acetamide
CID 120807147
N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-5-(trifluoromethyl)phenyl]acetamide
CID 119485287
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
(4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dimethylphenyl)methanone;hydrochloride
CID 120814617
N-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-5-(trifluoromethyl)phenyl]acetamide
CID 119632784
(4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dichlorophenyl)methanone;hydrochloride
CID 120816240
(4-amino-3,3-dimethylpiperidin-1-yl)-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanone;hydrochloride
CID 120814399
1-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]ethanone;hydrochloride
CID 120817656
(4-amino-3,3-dimethylpiperidin-1-yl)-(3,4-difluorophenyl)methanone;hydrochloride
CID 120814455
(4-amino-3,3-dimethylpiperidin-1-yl)-phenylmethanone;hydrochloride
CID 120815405

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-5-(trifluoromethyl)phenyl]acetamide;hydrochloride?
The IUPAC name of N-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-5-(trifluoromethyl)phenyl]acetamide;hydrochloride (CID 120817279) is N-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-5-(trifluoromethyl)phenyl]acetamide;hydrochloride.
What is the SMILES notation for N-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-5-(trifluoromethyl)phenyl]acetamide;hydrochloride?
The canonical SMILES for N-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-5-(trifluoromethyl)phenyl]acetamide;hydrochloride is CC(=O)Nc1cc(C(=O)N2CCC(N)C(C)(C)C2)cc(C(F)(F)F)c1.Cl.
What is the InChIKey of N-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-5-(trifluoromethyl)phenyl]acetamide;hydrochloride?
The InChIKey is FXOYSJBOQZKODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N3O2.ClH/c1-10(24)22-13-7-11(6-12(8-13)17(18,19)20)15(25)23-5-4-14(21)16(2,3)9-23;/h6-8,14H,4-5,9,21H2,1-3H3,(H,22,24);1H.
What are the key properties of N-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-5-(trifluoromethyl)phenyl]acetamide;hydrochloride?
N-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-5-(trifluoromethyl)phenyl]acetamide;hydrochloride has a molecular weight of 393.84 g/mol, XLogP of 3.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-5-(trifluoromethyl)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 120817279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).