N-[2-(dimethylamino)ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide;hydrochloride

C16H24ClF3N4O — CID 22163785

IUPACN-[2-(dimethylamino)ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide;hydrochloride
SMILESCN(C)CCNC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1.Cl
InChIInChI=1S/C16H23F3N4O.ClH/c1-21(2)7-6-20-15(24)23-10-8-22(9-11-23)14-5-3-4-13(12-14)16(17,18)19;/h3-5,12H,6-11H2,1-2H3,(H,20,24);1H
InChIKeyCWZHRXHKICCYCZ-UHFFFAOYSA-N
MW380.84 g/mol
LogP2.52
Rot. Bonds4

About N-[2-(dimethylamino)ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide;hydrochloride

N-[2-(dimethylamino)ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide;hydrochloride (PubChem CID 22163785) has the molecular formula C16H24ClF3N4O and a molecular weight of 380.84 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide;hydrochloride
PubChem CID22163785
Molecular FormulaC16H24ClF3N4O
Molecular Weight380.84 g/mol
Exact Mass380.16
IUPAC NameN-[2-(dimethylamino)ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide;hydrochloride
SMILESCN(C)CCNC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1.Cl
InChIInChI=1S/C16H23F3N4O.ClH/c1-21(2)7-6-20-15(24)23-10-8-22(9-11-23)14-5-3-4-13(12-14)16(17,18)19;/h3-5,12H,6-11H2,1-2H3,(H,20,24);1H
InChIKeyCWZHRXHKICCYCZ-UHFFFAOYSA-N
XLogP2.52
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.84
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(N-methylanilino)ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 112806983
N-(3,3-dimethylbutyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 38332211
4-(3-acetamidophenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide
CID 113105854
N-[3-(dimethylamino)propyl]-4-(3-fluorophenyl)piperazine-1-carboxamide
CID 113106335
N,N-dimethyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 2973748
N-[(1-phenylcyclopropyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 46699763
4-(3-chlorophenyl)-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide
CID 22107953
N-[2-(3-fluorophenoxy)ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 38336448
2-methyl-N-[2-[[N-methyl-C-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]carbonimidoyl]amino]ethyl]propanamide
CID 111234051
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 52543700
4-(4-bromo-3-methylphenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide
CID 113105872
4-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide
CID 14763494

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide;hydrochloride?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide;hydrochloride (CID 22163785) is N-[2-(dimethylamino)ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide;hydrochloride is CN(C)CCNC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1.Cl.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide;hydrochloride?
The InChIKey is CWZHRXHKICCYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N4O.ClH/c1-21(2)7-6-20-15(24)23-10-8-22(9-11-23)14-5-3-4-13(12-14)16(17,18)19;/h3-5,12H,6-11H2,1-2H3,(H,20,24);1H.
What are the key properties of N-[2-(dimethylamino)ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide;hydrochloride?
N-[2-(dimethylamino)ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide;hydrochloride has a molecular weight of 380.84 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide;hydrochloride is sourced from PubChem (CID 22163785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).