[4-[[1-(3-fluoro-4-methylbenzoyl)piperidin-4-yl]methoxy]phenyl]-morpholin-4-ylmethanone

C25H29FN2O4 — CID 53150447

IUPAC[4-[[1-(3-fluoro-4-methylbenzoyl)piperidin-4-yl]methoxy]phenyl]-morpholin-4-ylmethanone
SMILESCc1ccc(C(=O)N2CCC(COc3ccc(C(=O)N4CCOCC4)cc3)CC2)cc1F
InChIInChI=1S/C25H29FN2O4/c1-18-2-3-21(16-23(18)26)25(30)27-10-8-19(9-11-27)17-32-22-6-4-20(5-7-22)24(29)28-12-14-31-15-13-28/h2-7,16,19H,8-15,17H2,1H3
InChIKeyMYQZXUSNYWOBNP-UHFFFAOYSA-N
MW440.52 g/mol
LogP3.54
Rot. Bonds5

About [4-[[1-(3-fluoro-4-methylbenzoyl)piperidin-4-yl]methoxy]phenyl]-morpholin-4-ylmethanone

[4-[[1-(3-fluoro-4-methylbenzoyl)piperidin-4-yl]methoxy]phenyl]-morpholin-4-ylmethanone (PubChem CID 53150447) has the molecular formula C25H29FN2O4 and a molecular weight of 440.52 g/mol. Its IUPAC name is [4-[[1-(3-fluoro-4-methylbenzoyl)piperidin-4-yl]methoxy]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[[1-(3-fluoro-4-methylbenzoyl)piperidin-4-yl]methoxy]phenyl]-morpholin-4-ylmethanone
PubChem CID53150447
Molecular FormulaC25H29FN2O4
Molecular Weight440.52 g/mol
Exact Mass440.21
IUPAC Name[4-[[1-(3-fluoro-4-methylbenzoyl)piperidin-4-yl]methoxy]phenyl]-morpholin-4-ylmethanone
SMILESCc1ccc(C(=O)N2CCC(COc3ccc(C(=O)N4CCOCC4)cc3)CC2)cc1F
InChIInChI=1S/C25H29FN2O4/c1-18-2-3-21(16-23(18)26)25(30)27-10-8-19(9-11-27)17-32-22-6-4-20(5-7-22)24(29)28-12-14-31-15-13-28/h2-7,16,19H,8-15,17H2,1H3
InChIKeyMYQZXUSNYWOBNP-UHFFFAOYSA-N
XLogP3.54
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[[1-(3-fluoro-4-methylbenzoyl)piperidin-4-yl]methoxy]phenyl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

[4-[[1-(2,4-difluorobenzoyl)piperidin-4-yl]methoxy]phenyl]-morpholin-4-ylmethanone
CID 53150445
morpholin-4-yl-[4-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methoxy]phenyl]methanone
CID 53150425
[1-(3-fluoro-4-methylbenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 38491417
3-methyl-1-[4-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]butan-1-one
CID 53150429
2-(4-methylphenyl)-1-[4-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone
CID 53150427
1-[4-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]-2-phenoxyethanone
CID 53150450
[4-[[1-(3,5-dimethylbenzoyl)piperidin-3-yl]methoxy]phenyl]-morpholin-4-ylmethanone
CID 53150155
(4-aminopiperidin-1-yl)-(3-fluoro-4-methylphenyl)methanone;hydrochloride
CID 119374600
[4-[[(3S)-1-(2-fluorobenzoyl)piperidin-3-yl]methoxy]phenyl]-morpholin-4-ylmethanone
CID 95097733
[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 110639067
[4-(cyclopropylmethoxy)phenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119645875
1-[(3R)-3-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]propan-1-one
CID 95097768

Frequently Asked Questions

What is the IUPAC name of [4-[[1-(3-fluoro-4-methylbenzoyl)piperidin-4-yl]methoxy]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[[1-(3-fluoro-4-methylbenzoyl)piperidin-4-yl]methoxy]phenyl]-morpholin-4-ylmethanone (CID 53150447) is [4-[[1-(3-fluoro-4-methylbenzoyl)piperidin-4-yl]methoxy]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[[1-(3-fluoro-4-methylbenzoyl)piperidin-4-yl]methoxy]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[[1-(3-fluoro-4-methylbenzoyl)piperidin-4-yl]methoxy]phenyl]-morpholin-4-ylmethanone is Cc1ccc(C(=O)N2CCC(COc3ccc(C(=O)N4CCOCC4)cc3)CC2)cc1F.
What is the InChIKey of [4-[[1-(3-fluoro-4-methylbenzoyl)piperidin-4-yl]methoxy]phenyl]-morpholin-4-ylmethanone?
The InChIKey is MYQZXUSNYWOBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN2O4/c1-18-2-3-21(16-23(18)26)25(30)27-10-8-19(9-11-27)17-32-22-6-4-20(5-7-22)24(29)28-12-14-31-15-13-28/h2-7,16,19H,8-15,17H2,1H3.
What are the key properties of [4-[[1-(3-fluoro-4-methylbenzoyl)piperidin-4-yl]methoxy]phenyl]-morpholin-4-ylmethanone?
[4-[[1-(3-fluoro-4-methylbenzoyl)piperidin-4-yl]methoxy]phenyl]-morpholin-4-ylmethanone has a molecular weight of 440.52 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[1-(3-fluoro-4-methylbenzoyl)piperidin-4-yl]methoxy]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 53150447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).