N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide

C20H19F3N2O3 — CID 7687570

IUPACN-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide
SMILESCOc1cc(NC(=O)c2ccc(C(F)(F)F)cc2)ccc1N1CCCCC1=O
InChIInChI=1S/C20H19F3N2O3/c1-28-17-12-15(9-10-16(17)25-11-3-2-4-18(25)26)24-19(27)13-5-7-14(8-6-13)20(21,22)23/h5-10,12H,2-4,11H2,1H3,(H,24,27)
InChIKeyAUXJTLIBALEJLD-UHFFFAOYSA-N
MW392.38 g/mol
LogP4.48
Rot. Bonds4

About N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide

N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide (PubChem CID 7687570) has the molecular formula C20H19F3N2O3 and a molecular weight of 392.38 g/mol. Its IUPAC name is N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide
PubChem CID7687570
Molecular FormulaC20H19F3N2O3
Molecular Weight392.38 g/mol
Exact Mass392.13
IUPAC NameN-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide
SMILESCOc1cc(NC(=O)c2ccc(C(F)(F)F)cc2)ccc1N1CCCCC1=O
InChIInChI=1S/C20H19F3N2O3/c1-28-17-12-15(9-10-16(17)25-11-3-2-4-18(25)26)24-19(27)13-5-7-14(8-6-13)20(21,22)23/h5-10,12H,2-4,11H2,1H3,(H,24,27)
InChIKeyAUXJTLIBALEJLD-UHFFFAOYSA-N
XLogP4.48
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 18140044
4-methoxy-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686632
N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-4-phenylbenzamide
CID 7687543
N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 7687806
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3,4-dimethylbenzamide
CID 7686708
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3,5-bis(trifluoromethyl)benzamide
CID 35389984
4-(diethylaminomethyl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 55645760
3,4-diethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687515
3,4,5-triethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 42525029
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 51317994
4-bromo-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687877
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 7686735

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide (CID 7687570) is N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide is COc1cc(NC(=O)c2ccc(C(F)(F)F)cc2)ccc1N1CCCCC1=O.
What is the InChIKey of N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide?
The InChIKey is AUXJTLIBALEJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O3/c1-28-17-12-15(9-10-16(17)25-11-3-2-4-18(25)26)24-19(27)13-5-7-14(8-6-13)20(21,22)23/h5-10,12H,2-4,11H2,1H3,(H,24,27).
What are the key properties of N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide?
N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide has a molecular weight of 392.38 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 7687570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).