1-[4-[3-[(3-methyl-4-phenylmethoxyquinolin-2-yl)methoxy]phenoxy]piperidin-1-yl]ethanone

C31H32N2O4 — CID 59526930

IUPAC1-[4-[3-[(3-methyl-4-phenylmethoxyquinolin-2-yl)methoxy]phenoxy]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Oc2cccc(OCc3nc4ccccc4c(OCc4ccccc4)c3C)c2)CC1
InChIInChI=1S/C31H32N2O4/c1-22-30(32-29-14-7-6-13-28(29)31(22)36-20-24-9-4-3-5-10-24)21-35-26-11-8-12-27(19-26)37-25-15-17-33(18-16-25)23(2)34/h3-14,19,25H,15-18,20-21H2,1-2H3
InChIKeyCSPHLQRRCQJWSI-UHFFFAOYSA-N
MW496.61 g/mol
LogP6.09
Rot. Bonds8

About 1-[4-[3-[(3-methyl-4-phenylmethoxyquinolin-2-yl)methoxy]phenoxy]piperidin-1-yl]ethanone

1-[4-[3-[(3-methyl-4-phenylmethoxyquinolin-2-yl)methoxy]phenoxy]piperidin-1-yl]ethanone (PubChem CID 59526930) has the molecular formula C31H32N2O4 and a molecular weight of 496.61 g/mol. Its IUPAC name is 1-[4-[3-[(3-methyl-4-phenylmethoxyquinolin-2-yl)methoxy]phenoxy]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-[(3-methyl-4-phenylmethoxyquinolin-2-yl)methoxy]phenoxy]piperidin-1-yl]ethanone
PubChem CID59526930
Molecular FormulaC31H32N2O4
Molecular Weight496.61 g/mol
Exact Mass496.24
IUPAC Name1-[4-[3-[(3-methyl-4-phenylmethoxyquinolin-2-yl)methoxy]phenoxy]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Oc2cccc(OCc3nc4ccccc4c(OCc4ccccc4)c3C)c2)CC1
InChIInChI=1S/C31H32N2O4/c1-22-30(32-29-14-7-6-13-28(29)31(22)36-20-24-9-4-3-5-10-24)21-35-26-11-8-12-27(19-26)37-25-15-17-33(18-16-25)23(2)34/h3-14,19,25H,15-18,20-21H2,1-2H3
InChIKeyCSPHLQRRCQJWSI-UHFFFAOYSA-N
XLogP6.09
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.61
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-[3-[(3-methyl-4-phenylmethoxyquinolin-2-yl)methoxy]phenoxy]piperidin-1-yl]ethanone with MolForge

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Related Compounds

2-[[3-[4-(2-methoxyethoxy)piperidin-1-yl]phenoxy]methyl]-3-methyl-4-phenylmethoxyquinoline
CID 59527353
1-[2-[3-[(3-methyl-4-phenylmethoxyquinolin-2-yl)methoxy]phenoxy]ethyl]cyclobutan-1-ol
CID 59527448
2-methyl-5-[3-[(3-methyl-4-phenylmethoxyquinolin-2-yl)methoxy]phenoxy]pentan-2-ol
CID 59527442
(3-methyl-4-phenylmethoxyquinolin-2-yl)methyl morpholine-4-carboxylate
CID 59527580
(3-methyl-4-phenylmethoxyquinolin-2-yl)methanol
CID 68508380
3-[4-(1-acetylpiperidin-4-yl)oxyphenyl]-2-methylquinazolin-4-one;ethane
CID 162117435
[4-(3-methylphenoxy)piperidin-1-yl]-(4-methylquinolin-2-yl)methanone
CID 46978422
4-[1-[3-[(4-butoxy-3-methylquinolin-2-yl)methoxy]phenyl]piperidin-4-yl]oxy-2-methylbutan-2-ol
CID 70839437
2-(heptoxymethyl)-3-methyl-4-phenylmethoxyquinoline
CID 59527122
2-[2-oxo-2-[4-(4-phenylmethoxyphenoxy)piperidin-1-yl]ethyl]benzoic acid
CID 58347900
4-[(6-phenylmethoxy-2-pyridinyl)oxy]piperidine-1-carboxylic acid
CID 68924039
1-[4-(4-quinolin-3-ylphenoxy)piperidin-1-yl]ethanone;hydrochloride
CID 156702413

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[(3-methyl-4-phenylmethoxyquinolin-2-yl)methoxy]phenoxy]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-[(3-methyl-4-phenylmethoxyquinolin-2-yl)methoxy]phenoxy]piperidin-1-yl]ethanone (CID 59526930) is 1-[4-[3-[(3-methyl-4-phenylmethoxyquinolin-2-yl)methoxy]phenoxy]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-[(3-methyl-4-phenylmethoxyquinolin-2-yl)methoxy]phenoxy]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-[(3-methyl-4-phenylmethoxyquinolin-2-yl)methoxy]phenoxy]piperidin-1-yl]ethanone is CC(=O)N1CCC(Oc2cccc(OCc3nc4ccccc4c(OCc4ccccc4)c3C)c2)CC1.
What is the InChIKey of 1-[4-[3-[(3-methyl-4-phenylmethoxyquinolin-2-yl)methoxy]phenoxy]piperidin-1-yl]ethanone?
The InChIKey is CSPHLQRRCQJWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N2O4/c1-22-30(32-29-14-7-6-13-28(29)31(22)36-20-24-9-4-3-5-10-24)21-35-26-11-8-12-27(19-26)37-25-15-17-33(18-16-25)23(2)34/h3-14,19,25H,15-18,20-21H2,1-2H3.
What are the key properties of 1-[4-[3-[(3-methyl-4-phenylmethoxyquinolin-2-yl)methoxy]phenoxy]piperidin-1-yl]ethanone?
1-[4-[3-[(3-methyl-4-phenylmethoxyquinolin-2-yl)methoxy]phenoxy]piperidin-1-yl]ethanone has a molecular weight of 496.61 g/mol, XLogP of 6.09, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[(3-methyl-4-phenylmethoxyquinolin-2-yl)methoxy]phenoxy]piperidin-1-yl]ethanone is sourced from PubChem (CID 59526930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).