N-[1-[6-(difluoromethoxy)-2-methylquinolin-4-yl]piperidin-3-yl]butanamide

C20H25F2N3O2 — CID 133354772

IUPACN-[1-[6-(difluoromethoxy)-2-methylquinolin-4-yl]piperidin-3-yl]butanamide
SMILESCCCC(=O)NC1CCCN(c2cc(C)nc3ccc(OC(F)F)cc23)C1
InChIInChI=1S/C20H25F2N3O2/c1-3-5-19(26)24-14-6-4-9-25(12-14)18-10-13(2)23-17-8-7-15(11-16(17)18)27-20(21)22/h7-8,10-11,14,20H,3-6,9,12H2,1-2H3,(H,24,26)
InChIKeyUFIADRZYQAOSFS-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.03
Rot. Bonds6

About N-[1-[6-(difluoromethoxy)-2-methylquinolin-4-yl]piperidin-3-yl]butanamide

N-[1-[6-(difluoromethoxy)-2-methylquinolin-4-yl]piperidin-3-yl]butanamide (PubChem CID 133354772) has the molecular formula C20H25F2N3O2 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-[1-[6-(difluoromethoxy)-2-methylquinolin-4-yl]piperidin-3-yl]butanamide.

Molecular Properties

Compound NameN-[1-[6-(difluoromethoxy)-2-methylquinolin-4-yl]piperidin-3-yl]butanamide
PubChem CID133354772
Molecular FormulaC20H25F2N3O2
Molecular Weight377.44 g/mol
Exact Mass377.19
IUPAC NameN-[1-[6-(difluoromethoxy)-2-methylquinolin-4-yl]piperidin-3-yl]butanamide
SMILESCCCC(=O)NC1CCCN(c2cc(C)nc3ccc(OC(F)F)cc23)C1
InChIInChI=1S/C20H25F2N3O2/c1-3-5-19(26)24-14-6-4-9-25(12-14)18-10-13(2)23-17-8-7-15(11-16(17)18)27-20(21)22/h7-8,10-11,14,20H,3-6,9,12H2,1-2H3,(H,24,26)
InChIKeyUFIADRZYQAOSFS-UHFFFAOYSA-N
XLogP4.03
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(difluoromethoxy)-2-methylquinolin-4-yl]piperidin-3-yl]butanamide?
The IUPAC name of N-[1-[6-(difluoromethoxy)-2-methylquinolin-4-yl]piperidin-3-yl]butanamide (CID 133354772) is N-[1-[6-(difluoromethoxy)-2-methylquinolin-4-yl]piperidin-3-yl]butanamide.
What is the SMILES notation for N-[1-[6-(difluoromethoxy)-2-methylquinolin-4-yl]piperidin-3-yl]butanamide?
The canonical SMILES for N-[1-[6-(difluoromethoxy)-2-methylquinolin-4-yl]piperidin-3-yl]butanamide is CCCC(=O)NC1CCCN(c2cc(C)nc3ccc(OC(F)F)cc23)C1.
What is the InChIKey of N-[1-[6-(difluoromethoxy)-2-methylquinolin-4-yl]piperidin-3-yl]butanamide?
The InChIKey is UFIADRZYQAOSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F2N3O2/c1-3-5-19(26)24-14-6-4-9-25(12-14)18-10-13(2)23-17-8-7-15(11-16(17)18)27-20(21)22/h7-8,10-11,14,20H,3-6,9,12H2,1-2H3,(H,24,26).
What are the key properties of N-[1-[6-(difluoromethoxy)-2-methylquinolin-4-yl]piperidin-3-yl]butanamide?
N-[1-[6-(difluoromethoxy)-2-methylquinolin-4-yl]piperidin-3-yl]butanamide has a molecular weight of 377.44 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-(difluoromethoxy)-2-methylquinolin-4-yl]piperidin-3-yl]butanamide is sourced from PubChem (CID 133354772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).