1-[4-[2-(4-methoxyanilino)benzoyl]piperazin-1-yl]-2-morpholin-4-ylethanone

C24H30N4O4 — CID 52612933

IUPAC1-[4-[2-(4-methoxyanilino)benzoyl]piperazin-1-yl]-2-morpholin-4-ylethanone
SMILESCOc1ccc(Nc2ccccc2C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cc1
InChIInChI=1S/C24H30N4O4/c1-31-20-8-6-19(7-9-20)25-22-5-3-2-4-21(22)24(30)28-12-10-27(11-13-28)23(29)18-26-14-16-32-17-15-26/h2-9,25H,10-18H2,1H3
InChIKeyCSXCWJQGRZUXOS-UHFFFAOYSA-N
MW438.53 g/mol
LogP2.06
Rot. Bonds6

About 1-[4-[2-(4-methoxyanilino)benzoyl]piperazin-1-yl]-2-morpholin-4-ylethanone

1-[4-[2-(4-methoxyanilino)benzoyl]piperazin-1-yl]-2-morpholin-4-ylethanone (PubChem CID 52612933) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is 1-[4-[2-(4-methoxyanilino)benzoyl]piperazin-1-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[4-[2-(4-methoxyanilino)benzoyl]piperazin-1-yl]-2-morpholin-4-ylethanone
PubChem CID52612933
Molecular FormulaC24H30N4O4
Molecular Weight438.53 g/mol
Exact Mass438.23
IUPAC Name1-[4-[2-(4-methoxyanilino)benzoyl]piperazin-1-yl]-2-morpholin-4-ylethanone
SMILESCOc1ccc(Nc2ccccc2C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cc1
InChIInChI=1S/C24H30N4O4/c1-31-20-8-6-19(7-9-20)25-22-5-3-2-4-21(22)24(30)28-12-10-27(11-13-28)23(29)18-26-14-16-32-17-15-26/h2-9,25H,10-18H2,1H3
InChIKeyCSXCWJQGRZUXOS-UHFFFAOYSA-N
XLogP2.06
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-fluorophenyl)-[4-[2-(4-methoxyanilino)benzoyl]piperazin-1-yl]methanone
CID 46472653
(2,2-dimethylmorpholin-4-yl)-[2-(4-methoxyanilino)phenyl]methanone
CID 86991464
methyl 2-[[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]amino]benzoate
CID 55536184
[4-(1-aminoethyl)piperidin-1-yl]-[2-(4-methoxyanilino)phenyl]methanone;hydrochloride
CID 119517512
1-[4-(3-bromo-2,5-dimethoxybenzoyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 24671557
(3R)-1-[2-(4-methoxyanilino)benzoyl]pyrrolidine-3-carboxylic acid
CID 124688795
[2-[4-(difluoromethoxy)anilino]phenyl]-(4-ethylpiperazin-1-yl)methanone
CID 134008336
(2R)-2-(4-methoxyphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide
CID 26074932
bis[2-(4-methoxyanilino)phenyl]methanone
CID 141301142
3,9-diazabicyclo[4.2.1]nonan-3-yl-[2-(4-methoxyanilino)phenyl]methanone
CID 119635753
4-[4-[2-(4-methoxyanilino)benzoyl]piperazin-1-yl]sulfonylbenzonitrile
CID 55719201
1-[4-[2-[4-(difluoromethoxy)anilino]benzoyl]piperazin-1-yl]ethanone
CID 51210779

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-methoxyanilino)benzoyl]piperazin-1-yl]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[4-[2-(4-methoxyanilino)benzoyl]piperazin-1-yl]-2-morpholin-4-ylethanone (CID 52612933) is 1-[4-[2-(4-methoxyanilino)benzoyl]piperazin-1-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[4-[2-(4-methoxyanilino)benzoyl]piperazin-1-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[4-[2-(4-methoxyanilino)benzoyl]piperazin-1-yl]-2-morpholin-4-ylethanone is COc1ccc(Nc2ccccc2C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cc1.
What is the InChIKey of 1-[4-[2-(4-methoxyanilino)benzoyl]piperazin-1-yl]-2-morpholin-4-ylethanone?
The InChIKey is CSXCWJQGRZUXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4/c1-31-20-8-6-19(7-9-20)25-22-5-3-2-4-21(22)24(30)28-12-10-27(11-13-28)23(29)18-26-14-16-32-17-15-26/h2-9,25H,10-18H2,1H3.
What are the key properties of 1-[4-[2-(4-methoxyanilino)benzoyl]piperazin-1-yl]-2-morpholin-4-ylethanone?
1-[4-[2-(4-methoxyanilino)benzoyl]piperazin-1-yl]-2-morpholin-4-ylethanone has a molecular weight of 438.53 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-methoxyanilino)benzoyl]piperazin-1-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 52612933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).