[1-(4-fluorobenzoyl)-4-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]methyl acetate

C21H27FN2O5 — CID 155997626

IUPAC[1-(4-fluorobenzoyl)-4-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]methyl acetate
SMILESCC(=O)OCC1(CC(=O)N2CCOCC2)CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C21H27FN2O5/c1-16(25)29-15-21(14-19(26)23-10-12-28-13-11-23)6-8-24(9-7-21)20(27)17-2-4-18(22)5-3-17/h2-5H,6-15H2,1H3
InChIKeyMZJHWCUZSUSTBZ-UHFFFAOYSA-N
MW406.45 g/mol
LogP1.86
Rot. Bonds5

About [1-(4-fluorobenzoyl)-4-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]methyl acetate

[1-(4-fluorobenzoyl)-4-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]methyl acetate (PubChem CID 155997626) has the molecular formula C21H27FN2O5 and a molecular weight of 406.45 g/mol. Its IUPAC name is [1-(4-fluorobenzoyl)-4-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]methyl acetate.

Molecular Properties

Compound Name[1-(4-fluorobenzoyl)-4-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]methyl acetate
PubChem CID155997626
Molecular FormulaC21H27FN2O5
Molecular Weight406.45 g/mol
Exact Mass406.19
IUPAC Name[1-(4-fluorobenzoyl)-4-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]methyl acetate
SMILESCC(=O)OCC1(CC(=O)N2CCOCC2)CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C21H27FN2O5/c1-16(25)29-15-21(14-19(26)23-10-12-28-13-11-23)6-8-24(9-7-21)20(27)17-2-4-18(22)5-3-17/h2-5H,6-15H2,1H3
InChIKeyMZJHWCUZSUSTBZ-UHFFFAOYSA-N
XLogP1.86
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(4-chlorophenoxy)methyl]-1-(4-fluorobenzoyl)piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 110080101
[1-[[5-(methoxymethyl)furan-2-yl]methyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]methyl acetate
CID 155997624
(4-fluorophenyl)-(1,4-oxazepan-4-yl)methanone
CID 62060048
3-cyclopentyl-1-[4-[(4-fluorophenoxy)methyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]propan-1-one
CID 155990314
2-[1-(3-chlorobenzoyl)-4-[(3-chlorophenoxy)methyl]piperidin-4-yl]-1-morpholin-4-ylethanone
CID 110079907
(4-fluorophenyl)-(3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 131659617
1-(4-fluorobenzoyl)-4-methylpiperidine-4-carbothioamide
CID 107161015
ethyl 4-(4-fluorobenzoyl)-1,4-diazepane-1-carboxylate
CID 110798379
4-[[2-[1-(2-morpholin-4-yl-2-oxoethyl)cyclopentyl]acetyl]amino]benzamide
CID 17479505
2-[4-[(3-chlorophenoxy)methyl]-1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]-1-morpholin-4-ylethanone
CID 110079902
2-[4-[(4-chlorophenoxy)methyl]-1-[2-(2-fluorophenoxy)acetyl]piperidin-4-yl]-1-morpholin-4-ylethanone
CID 110080455
2-[4-[(3-chlorophenoxy)methyl]-1-(5-methylpyridine-3-carbonyl)piperidin-4-yl]-1-morpholin-4-ylethanone
CID 110079915

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorobenzoyl)-4-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]methyl acetate?
The IUPAC name of [1-(4-fluorobenzoyl)-4-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]methyl acetate (CID 155997626) is [1-(4-fluorobenzoyl)-4-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]methyl acetate.
What is the SMILES notation for [1-(4-fluorobenzoyl)-4-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]methyl acetate?
The canonical SMILES for [1-(4-fluorobenzoyl)-4-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]methyl acetate is CC(=O)OCC1(CC(=O)N2CCOCC2)CCN(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of [1-(4-fluorobenzoyl)-4-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]methyl acetate?
The InChIKey is MZJHWCUZSUSTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O5/c1-16(25)29-15-21(14-19(26)23-10-12-28-13-11-23)6-8-24(9-7-21)20(27)17-2-4-18(22)5-3-17/h2-5H,6-15H2,1H3.
What are the key properties of [1-(4-fluorobenzoyl)-4-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]methyl acetate?
[1-(4-fluorobenzoyl)-4-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]methyl acetate has a molecular weight of 406.45 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorobenzoyl)-4-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]methyl acetate is sourced from PubChem (CID 155997626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).