N-methyl-N-propan-2-yl-1-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]piperidine-4-carboxamide

C16H23F3N4O2 — CID 138033411

IUPACN-methyl-N-propan-2-yl-1-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]piperidine-4-carboxamide
SMILESCC(C)N(C)C(=O)C1CCN(c2ccc(OCC(F)(F)F)nn2)CC1
InChIInChI=1S/C16H23F3N4O2/c1-11(2)22(3)15(24)12-6-8-23(9-7-12)13-4-5-14(21-20-13)25-10-16(17,18)19/h4-5,11-12H,6-10H2,1-3H3
InChIKeyYCYSDILRBQBJQA-UHFFFAOYSA-N
MW360.38 g/mol
LogP2.50
Rot. Bonds5

About N-methyl-N-propan-2-yl-1-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]piperidine-4-carboxamide

N-methyl-N-propan-2-yl-1-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]piperidine-4-carboxamide (PubChem CID 138033411) has the molecular formula C16H23F3N4O2 and a molecular weight of 360.38 g/mol. Its IUPAC name is N-methyl-N-propan-2-yl-1-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-propan-2-yl-1-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]piperidine-4-carboxamide
PubChem CID138033411
Molecular FormulaC16H23F3N4O2
Molecular Weight360.38 g/mol
Exact Mass360.18
IUPAC NameN-methyl-N-propan-2-yl-1-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]piperidine-4-carboxamide
SMILESCC(C)N(C)C(=O)C1CCN(c2ccc(OCC(F)(F)F)nn2)CC1
InChIInChI=1S/C16H23F3N4O2/c1-11(2)22(3)15(24)12-6-8-23(9-7-12)13-4-5-14(21-20-13)25-10-16(17,18)19/h4-5,11-12H,6-10H2,1-3H3
InChIKeyYCYSDILRBQBJQA-UHFFFAOYSA-N
XLogP2.50
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-propan-2-yl-1-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]piperidine-4-carboxamide?
The IUPAC name of N-methyl-N-propan-2-yl-1-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]piperidine-4-carboxamide (CID 138033411) is N-methyl-N-propan-2-yl-1-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-methyl-N-propan-2-yl-1-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for N-methyl-N-propan-2-yl-1-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]piperidine-4-carboxamide is CC(C)N(C)C(=O)C1CCN(c2ccc(OCC(F)(F)F)nn2)CC1.
What is the InChIKey of N-methyl-N-propan-2-yl-1-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]piperidine-4-carboxamide?
The InChIKey is YCYSDILRBQBJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N4O2/c1-11(2)22(3)15(24)12-6-8-23(9-7-12)13-4-5-14(21-20-13)25-10-16(17,18)19/h4-5,11-12H,6-10H2,1-3H3.
What are the key properties of N-methyl-N-propan-2-yl-1-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]piperidine-4-carboxamide?
N-methyl-N-propan-2-yl-1-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]piperidine-4-carboxamide has a molecular weight of 360.38 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-propan-2-yl-1-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 138033411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).