N-methyl-1-[1-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-1-oxopropan-2-yl]piperidine-4-carboxamide

C20H27F3N4O3 — CID 42929030

IUPACN-methyl-1-[1-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-1-oxopropan-2-yl]piperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(C)C(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C20H27F3N4O3/c1-13(27-10-8-14(9-11-27)18(29)24-2)19(30)26(3)12-17(28)25-16-7-5-4-6-15(16)20(21,22)23/h4-7,13-14H,8-12H2,1-3H3,(H,24,29)(H,25,28)
InChIKeyHQLVRWDPRGEPKC-UHFFFAOYSA-N
MW428.46 g/mol
LogP1.95
Rot. Bonds6

About N-methyl-1-[1-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-1-oxopropan-2-yl]piperidine-4-carboxamide

N-methyl-1-[1-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-1-oxopropan-2-yl]piperidine-4-carboxamide (PubChem CID 42929030) has the molecular formula C20H27F3N4O3 and a molecular weight of 428.46 g/mol. Its IUPAC name is N-methyl-1-[1-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-1-oxopropan-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[1-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-1-oxopropan-2-yl]piperidine-4-carboxamide
PubChem CID42929030
Molecular FormulaC20H27F3N4O3
Molecular Weight428.46 g/mol
Exact Mass428.20
IUPAC NameN-methyl-1-[1-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-1-oxopropan-2-yl]piperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(C)C(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C20H27F3N4O3/c1-13(27-10-8-14(9-11-27)18(29)24-2)19(30)26(3)12-17(28)25-16-7-5-4-6-15(16)20(21,22)23/h4-7,13-14H,8-12H2,1-3H3,(H,24,29)(H,25,28)
InChIKeyHQLVRWDPRGEPKC-UHFFFAOYSA-N
XLogP1.95
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.46
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-1-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-1-oxopropan-2-yl]-N-methylpiperidine-4-carboxamide
CID 42542888
(2R)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
CID 98539892
2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
CID 42921497
N-methyl-1-[(2R)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 25489817
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]propanamide
CID 78825915
N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]cyclopentanecarboxamide
CID 8503372
1-[(2S)-1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl]piperidine-4-carboxamide
CID 9443539
2-acetamido-N,3-dimethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide
CID 18112777
N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2-piperidin-1-ylacetamide
CID 27100580
2-[4-(hydroxymethyl)piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 110891614
2-[benzyl(methyl)amino]-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
CID 42919555
1-[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]-N-methylpiperidine-4-carboxamide
CID 24580188

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-1-oxopropan-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-methyl-1-[1-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-1-oxopropan-2-yl]piperidine-4-carboxamide (CID 42929030) is N-methyl-1-[1-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-1-oxopropan-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-methyl-1-[1-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-1-oxopropan-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-methyl-1-[1-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-1-oxopropan-2-yl]piperidine-4-carboxamide is CNC(=O)C1CCN(C(C)C(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)CC1.
What is the InChIKey of N-methyl-1-[1-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-1-oxopropan-2-yl]piperidine-4-carboxamide?
The InChIKey is HQLVRWDPRGEPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F3N4O3/c1-13(27-10-8-14(9-11-27)18(29)24-2)19(30)26(3)12-17(28)25-16-7-5-4-6-15(16)20(21,22)23/h4-7,13-14H,8-12H2,1-3H3,(H,24,29)(H,25,28).
What are the key properties of N-methyl-1-[1-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-1-oxopropan-2-yl]piperidine-4-carboxamide?
N-methyl-1-[1-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-1-oxopropan-2-yl]piperidine-4-carboxamide has a molecular weight of 428.46 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-1-oxopropan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 42929030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).