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

C18H25ClF3N3O2 — CID 119646337

IUPACN-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]-5-(trifluoromethyl)phenyl]acetamide;hydrochloride
SMILESCCNCC1CCN(C(=O)c2cc(NC(C)=O)cc(C(F)(F)F)c2)CC1.Cl
InChIInChI=1S/C18H24F3N3O2.ClH/c1-3-22-11-13-4-6-24(7-5-13)17(26)14-8-15(18(19,20)21)10-16(9-14)23-12(2)25;/h8-10,13,22H,3-7,11H2,1-2H3,(H,23,25);1H
InChIKeyDDSUXIPAZXFSEP-UHFFFAOYSA-N
MW407.86 g/mol
LogP3.55
Rot. Bonds5

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

N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]-5-(trifluoromethyl)phenyl]acetamide;hydrochloride (PubChem CID 119646337) has the molecular formula C18H25ClF3N3O2 and a molecular weight of 407.86 g/mol. Its IUPAC name is N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]-5-(trifluoromethyl)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]-5-(trifluoromethyl)phenyl]acetamide;hydrochloride
PubChem CID119646337
Molecular FormulaC18H25ClF3N3O2
Molecular Weight407.86 g/mol
Exact Mass407.16
IUPAC NameN-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]-5-(trifluoromethyl)phenyl]acetamide;hydrochloride
SMILESCCNCC1CCN(C(=O)c2cc(NC(C)=O)cc(C(F)(F)F)c2)CC1.Cl
InChIInChI=1S/C18H24F3N3O2.ClH/c1-3-22-11-13-4-6-24(7-5-13)17(26)14-8-15(18(19,20)21)10-16(9-14)23-12(2)25;/h8-10,13,22H,3-7,11H2,1-2H3,(H,23,25);1H
InChIKeyDDSUXIPAZXFSEP-UHFFFAOYSA-N
XLogP3.55
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.86
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-5-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119623576
N-[3-(4-aminopiperidine-1-carbonyl)-5-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119374898
N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-5-(trifluoromethyl)phenyl]acetamide
CID 119485287
N-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-5-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 120817279
[4-(ethylaminomethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 80550856
[4-(ethylaminomethyl)piperidin-1-yl]-[4-fluoro-3-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119647539
N-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-5-(trifluoromethyl)phenyl]acetamide
CID 119632784
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone;hydrochloride
CID 119646509
(3,5-dimethoxy-4-methylphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119648224
N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]propanamide
CID 119646571
N-[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-5-(trifluoromethyl)phenyl]acetamide
CID 120807147
[4-(ethylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 80552437

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]-5-(trifluoromethyl)phenyl]acetamide;hydrochloride?
The IUPAC name of N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]-5-(trifluoromethyl)phenyl]acetamide;hydrochloride (CID 119646337) is N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]-5-(trifluoromethyl)phenyl]acetamide;hydrochloride.
What is the SMILES notation for N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]-5-(trifluoromethyl)phenyl]acetamide;hydrochloride?
The canonical SMILES for N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]-5-(trifluoromethyl)phenyl]acetamide;hydrochloride is CCNCC1CCN(C(=O)c2cc(NC(C)=O)cc(C(F)(F)F)c2)CC1.Cl.
What is the InChIKey of N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]-5-(trifluoromethyl)phenyl]acetamide;hydrochloride?
The InChIKey is DDSUXIPAZXFSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N3O2.ClH/c1-3-22-11-13-4-6-24(7-5-13)17(26)14-8-15(18(19,20)21)10-16(9-14)23-12(2)25;/h8-10,13,22H,3-7,11H2,1-2H3,(H,23,25);1H.
What are the key properties of N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]-5-(trifluoromethyl)phenyl]acetamide;hydrochloride?
N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]-5-(trifluoromethyl)phenyl]acetamide;hydrochloride has a molecular weight of 407.86 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]-5-(trifluoromethyl)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 119646337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).