N-methyl-N-[2-oxo-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]ethyl]thiophene-2-carboxamide

C20H22F3N3O3S — CID 36888013

IUPACN-methyl-N-[2-oxo-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]ethyl]thiophene-2-carboxamide
SMILESCN(CC(=O)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1)C(=O)c1cccs1
InChIInChI=1S/C20H22F3N3O3S/c1-24(19(28)17-3-2-12-30-17)14-18(27)26-10-8-25(9-11-26)13-15-4-6-16(7-5-15)29-20(21,22)23/h2-7,12H,8-11,13-14H2,1H3
InChIKeyBGBTYXJDQOSRRB-UHFFFAOYSA-N
MW441.48 g/mol
LogP3.06
Rot. Bonds6

About N-methyl-N-[2-oxo-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]ethyl]thiophene-2-carboxamide

N-methyl-N-[2-oxo-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]ethyl]thiophene-2-carboxamide (PubChem CID 36888013) has the molecular formula C20H22F3N3O3S and a molecular weight of 441.48 g/mol. Its IUPAC name is N-methyl-N-[2-oxo-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-oxo-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]ethyl]thiophene-2-carboxamide
PubChem CID36888013
Molecular FormulaC20H22F3N3O3S
Molecular Weight441.48 g/mol
Exact Mass441.13
IUPAC NameN-methyl-N-[2-oxo-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]ethyl]thiophene-2-carboxamide
SMILESCN(CC(=O)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1)C(=O)c1cccs1
InChIInChI=1S/C20H22F3N3O3S/c1-24(19(28)17-3-2-12-30-17)14-18(27)26-10-8-25(9-11-26)13-15-4-6-16(7-5-15)29-20(21,22)23/h2-7,12H,8-11,13-14H2,1H3
InChIKeyBGBTYXJDQOSRRB-UHFFFAOYSA-N
XLogP3.06
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.48
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]propan-1-one
CID 86928582
2-(2-methoxyphenyl)-1-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]ethanone
CID 60506594
tert-butyl N-[3-oxo-3-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]propyl]carbamate
CID 37358995
N,N-dimethyl-3-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]propanamide
CID 55626011
1-[3-oxo-3-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]propyl]pyrrolidine-2,5-dione
CID 47025565
N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 119623355
N-[2-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 134003801
2-(1,3,4-thiadiazol-2-ylsulfanyl)-1-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]ethanone
CID 55851667
N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide;hydrochloride
CID 119623354
1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]ethanone
CID 35161586
N-methyl-N-[2-[4-[(4-methylpiperidin-1-yl)methyl]anilino]-2-oxoethyl]thiophene-2-carboxamide
CID 55846194
1-[2-[methyl-[4-(trifluoromethoxy)benzoyl]amino]acetyl]piperidine-4-carboxylic acid
CID 119236319

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-oxo-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]ethyl]thiophene-2-carboxamide?
The IUPAC name of N-methyl-N-[2-oxo-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]ethyl]thiophene-2-carboxamide (CID 36888013) is N-methyl-N-[2-oxo-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-methyl-N-[2-oxo-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-methyl-N-[2-oxo-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]ethyl]thiophene-2-carboxamide is CN(CC(=O)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1)C(=O)c1cccs1.
What is the InChIKey of N-methyl-N-[2-oxo-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]ethyl]thiophene-2-carboxamide?
The InChIKey is BGBTYXJDQOSRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O3S/c1-24(19(28)17-3-2-12-30-17)14-18(27)26-10-8-25(9-11-26)13-15-4-6-16(7-5-15)29-20(21,22)23/h2-7,12H,8-11,13-14H2,1H3.
What are the key properties of N-methyl-N-[2-oxo-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]ethyl]thiophene-2-carboxamide?
N-methyl-N-[2-oxo-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]ethyl]thiophene-2-carboxamide has a molecular weight of 441.48 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-oxo-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 36888013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).