1-(1-methyl-6-oxopyridazin-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide

C19H21F3N4O2 — CID 53203923

IUPAC1-(1-methyl-6-oxopyridazin-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESCn1ncc(N2CCCC(C(=O)NCc3cccc(C(F)(F)F)c3)C2)cc1=O
InChIInChI=1S/C19H21F3N4O2/c1-25-17(27)9-16(11-24-25)26-7-3-5-14(12-26)18(28)23-10-13-4-2-6-15(8-13)19(20,21)22/h2,4,6,8-9,11,14H,3,5,7,10,12H2,1H3,(H,23,28)
InChIKeyPAPDCSWLVIIEKT-UHFFFAOYSA-N
MW394.40 g/mol
LogP2.33
Rot. Bonds4

About 1-(1-methyl-6-oxopyridazin-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide

1-(1-methyl-6-oxopyridazin-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 53203923) has the molecular formula C19H21F3N4O2 and a molecular weight of 394.40 g/mol. Its IUPAC name is 1-(1-methyl-6-oxopyridazin-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1-methyl-6-oxopyridazin-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
PubChem CID53203923
Molecular FormulaC19H21F3N4O2
Molecular Weight394.40 g/mol
Exact Mass394.16
IUPAC Name1-(1-methyl-6-oxopyridazin-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESCn1ncc(N2CCCC(C(=O)NCc3cccc(C(F)(F)F)c3)C2)cc1=O
InChIInChI=1S/C19H21F3N4O2/c1-25-17(27)9-16(11-24-25)26-7-3-5-14(12-26)18(28)23-10-13-4-2-6-15(8-13)19(20,21)22/h2,4,6,8-9,11,14H,3,5,7,10,12H2,1H3,(H,23,28)
InChIKeyPAPDCSWLVIIEKT-UHFFFAOYSA-N
XLogP2.33
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-6-oxopyridazin-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(1-methyl-6-oxopyridazin-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide (CID 53203923) is 1-(1-methyl-6-oxopyridazin-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(1-methyl-6-oxopyridazin-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(1-methyl-6-oxopyridazin-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide is Cn1ncc(N2CCCC(C(=O)NCc3cccc(C(F)(F)F)c3)C2)cc1=O.
What is the InChIKey of 1-(1-methyl-6-oxopyridazin-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is PAPDCSWLVIIEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O2/c1-25-17(27)9-16(11-24-25)26-7-3-5-14(12-26)18(28)23-10-13-4-2-6-15(8-13)19(20,21)22/h2,4,6,8-9,11,14H,3,5,7,10,12H2,1H3,(H,23,28).
What are the key properties of 1-(1-methyl-6-oxopyridazin-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
1-(1-methyl-6-oxopyridazin-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 394.40 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-6-oxopyridazin-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 53203923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).