[2-[[4-(2-fluorobenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]-(4-methylphenyl)methanone

C24H28FN3O3 — CID 42861811

IUPAC[2-[[4-(2-fluorobenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCOC(CN3CCN(C(=O)c4ccccc4F)CC3)C2)cc1
InChIInChI=1S/C24H28FN3O3/c1-18-6-8-19(9-7-18)23(29)28-14-15-31-20(17-28)16-26-10-12-27(13-11-26)24(30)21-4-2-3-5-22(21)25/h2-9,20H,10-17H2,1H3
InChIKeyVWSRVXYDRNLTNE-UHFFFAOYSA-N
MW425.50 g/mol
LogP2.43
Rot. Bonds4

About [2-[[4-(2-fluorobenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]-(4-methylphenyl)methanone

[2-[[4-(2-fluorobenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]-(4-methylphenyl)methanone (PubChem CID 42861811) has the molecular formula C24H28FN3O3 and a molecular weight of 425.50 g/mol. Its IUPAC name is [2-[[4-(2-fluorobenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[2-[[4-(2-fluorobenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]-(4-methylphenyl)methanone
PubChem CID42861811
Molecular FormulaC24H28FN3O3
Molecular Weight425.50 g/mol
Exact Mass425.21
IUPAC Name[2-[[4-(2-fluorobenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCOC(CN3CCN(C(=O)c4ccccc4F)CC3)C2)cc1
InChIInChI=1S/C24H28FN3O3/c1-18-6-8-19(9-7-18)23(29)28-14-15-31-20(17-28)16-26-10-12-27(13-11-26)24(30)21-4-2-3-5-22(21)25/h2-9,20H,10-17H2,1H3
InChIKeyVWSRVXYDRNLTNE-UHFFFAOYSA-N
XLogP2.43
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[[4-(3-fluorobenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 42861807
(4-chlorophenyl)-[2-[[4-(2-methoxybenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone
CID 42861858
(2-fluorophenyl)-[4-[[4-(quinoxaline-2-carbonyl)morpholin-2-yl]methyl]piperazin-1-yl]methanone
CID 42861815
2-(4-chlorophenoxy)-1-[(2R)-2-[[4-(2-fluorobenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]ethanone
CID 92988117
[(2S)-2-(aminomethyl)morpholin-4-yl]-(2-fluorophenyl)methanone
CID 42252423
[4-[[4-(4-chlorobenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 42861799
(3,4-dimethoxyphenyl)-[4-[[(2S)-4-(2-methylbenzoyl)morpholin-2-yl]methyl]-1,4-diazepan-1-yl]methanone
CID 93338476
1-[4-[[4-(2-methylbenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone
CID 42861510
(4-methylphenyl)-[4-[[(2S)-4-(thiophen-3-ylmethyl)morpholin-2-yl]methyl]piperazin-1-yl]methanone
CID 92989700
(2-fluorophenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62972888
[4-[[(2S)-4-[(3,5-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 92989684
[4-[[(2S)-4-(furan-2-carbonyl)morpholin-2-yl]methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 92988082

Frequently Asked Questions

What is the IUPAC name of [2-[[4-(2-fluorobenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]-(4-methylphenyl)methanone?
The IUPAC name of [2-[[4-(2-fluorobenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]-(4-methylphenyl)methanone (CID 42861811) is [2-[[4-(2-fluorobenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [2-[[4-(2-fluorobenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [2-[[4-(2-fluorobenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCOC(CN3CCN(C(=O)c4ccccc4F)CC3)C2)cc1.
What is the InChIKey of [2-[[4-(2-fluorobenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]-(4-methylphenyl)methanone?
The InChIKey is VWSRVXYDRNLTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O3/c1-18-6-8-19(9-7-18)23(29)28-14-15-31-20(17-28)16-26-10-12-27(13-11-26)24(30)21-4-2-3-5-22(21)25/h2-9,20H,10-17H2,1H3.
What are the key properties of [2-[[4-(2-fluorobenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]-(4-methylphenyl)methanone?
[2-[[4-(2-fluorobenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]-(4-methylphenyl)methanone has a molecular weight of 425.50 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-(2-fluorobenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 42861811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).