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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Related Compounds

1-[1-[6-(difluoromethoxy)-2-methylquinolin-4-yl]piperidin-3-yl]ethanol
CID 133397728
N-[1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]-2-methylsulfanylacetamide
CID 71994057
N-(1-thieno[3,2-b]pyridin-7-ylpiperidin-3-yl)butanamide
CID 133354808
N-[(3R)-1-(2-acetyl-3-fluorophenyl)piperidin-3-yl]butanamide
CID 96567414
N-[(3R)-1-[3-(hydroxymethyl)quinolin-2-yl]piperidin-3-yl]butanamide
CID 96567399
N-[(3S)-1-(6-nitroquinolin-2-yl)piperidin-3-yl]butanamide
CID 96567403
N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]butanamide
CID 133354809
methyl 1-(2-methylquinolin-4-yl)piperidine-3-carboxylate
CID 115538397
tert-butyl N-[(3R)-1-[3-amino-2-(ethylamino)-6-methyl-4-pyridinyl]piperidin-3-yl]carbamate
CID 70975709
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-4-oxo-4-phenylbutanamide
CID 86966256
N-[1-[2-chloro-4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]piperidin-3-yl]butanamide
CID 133354814
N-[1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-3-yl]butanamide
CID 133354731

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).