N-[2-[ethyl(propan-2-yl)amino]ethyl]-1-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide

C21H30F3N3O2 — CID 86957651

IUPACN-[2-[ethyl(propan-2-yl)amino]ethyl]-1-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide
SMILESCCN(CCNC(=O)C1CCC(=O)N(C)C1c1ccc(C(F)(F)F)cc1)C(C)C
InChIInChI=1S/C21H30F3N3O2/c1-5-27(14(2)3)13-12-25-20(29)17-10-11-18(28)26(4)19(17)15-6-8-16(9-7-15)21(22,23)24/h6-9,14,17,19H,5,10-13H2,1-4H3,(H,25,29)
InChIKeyQCNMIYBPFMVHHC-UHFFFAOYSA-N
MW413.48 g/mol
LogP3.46
Rot. Bonds7

About N-[2-[ethyl(propan-2-yl)amino]ethyl]-1-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide

N-[2-[ethyl(propan-2-yl)amino]ethyl]-1-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide (PubChem CID 86957651) has the molecular formula C21H30F3N3O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-[2-[ethyl(propan-2-yl)amino]ethyl]-1-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[ethyl(propan-2-yl)amino]ethyl]-1-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide
PubChem CID86957651
Molecular FormulaC21H30F3N3O2
Molecular Weight413.48 g/mol
Exact Mass413.23
IUPAC NameN-[2-[ethyl(propan-2-yl)amino]ethyl]-1-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide
SMILESCCN(CCNC(=O)C1CCC(=O)N(C)C1c1ccc(C(F)(F)F)cc1)C(C)C
InChIInChI=1S/C21H30F3N3O2/c1-5-27(14(2)3)13-12-25-20(29)17-10-11-18(28)26(4)19(17)15-6-8-16(9-7-15)21(22,23)24/h6-9,14,17,19H,5,10-13H2,1-4H3,(H,25,29)
InChIKeyQCNMIYBPFMVHHC-UHFFFAOYSA-N
XLogP3.46
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[ethyl(propan-2-yl)amino]ethyl]-1-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of N-[2-[ethyl(propan-2-yl)amino]ethyl]-1-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide (CID 86957651) is N-[2-[ethyl(propan-2-yl)amino]ethyl]-1-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[2-[ethyl(propan-2-yl)amino]ethyl]-1-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for N-[2-[ethyl(propan-2-yl)amino]ethyl]-1-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide is CCN(CCNC(=O)C1CCC(=O)N(C)C1c1ccc(C(F)(F)F)cc1)C(C)C.
What is the InChIKey of N-[2-[ethyl(propan-2-yl)amino]ethyl]-1-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The InChIKey is QCNMIYBPFMVHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30F3N3O2/c1-5-27(14(2)3)13-12-25-20(29)17-10-11-18(28)26(4)19(17)15-6-8-16(9-7-15)21(22,23)24/h6-9,14,17,19H,5,10-13H2,1-4H3,(H,25,29).
What are the key properties of N-[2-[ethyl(propan-2-yl)amino]ethyl]-1-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
N-[2-[ethyl(propan-2-yl)amino]ethyl]-1-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide has a molecular weight of 413.48 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[ethyl(propan-2-yl)amino]ethyl]-1-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 86957651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).