N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide

C19H21F3N4O3 — CID 45246888

IUPACN-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESCc1nonc1CN(C)C(=O)C1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C19H21F3N4O3/c1-12-16(24-29-23-12)11-25(2)18(28)14-6-7-17(27)26(10-14)9-13-4-3-5-15(8-13)19(20,21)22/h3-5,8,14H,6-7,9-11H2,1-2H3
InChIKeySQGDRPONKWNOGS-UHFFFAOYSA-N
MW410.40 g/mol
LogP2.79
Rot. Bonds5

About N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide

N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 45246888) has the molecular formula C19H21F3N4O3 and a molecular weight of 410.40 g/mol. Its IUPAC name is N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
PubChem CID45246888
Molecular FormulaC19H21F3N4O3
Molecular Weight410.40 g/mol
Exact Mass410.16
IUPAC NameN-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESCc1nonc1CN(C)C(=O)C1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C19H21F3N4O3/c1-12-16(24-29-23-12)11-25(2)18(28)14-6-7-17(27)26(10-14)9-13-4-3-5-15(8-13)19(20,21)22/h3-5,8,14H,6-7,9-11H2,1-2H3
InChIKeySQGDRPONKWNOGS-UHFFFAOYSA-N
XLogP2.79
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.40
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide (CID 45246888) is N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide is Cc1nonc1CN(C)C(=O)C1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is SQGDRPONKWNOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O3/c1-12-16(24-29-23-12)11-25(2)18(28)14-6-7-17(27)26(10-14)9-13-4-3-5-15(8-13)19(20,21)22/h3-5,8,14H,6-7,9-11H2,1-2H3.
What are the key properties of N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 410.40 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 45246888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).