1-(4-methoxyphenyl)-3-methyl-4-(3-morpholin-4-ylpropanoyl)piperazin-2-one

C19H27N3O4 — CID 70744346

IUPAC1-(4-methoxyphenyl)-3-methyl-4-(3-morpholin-4-ylpropanoyl)piperazin-2-one
SMILESCOc1ccc(N2CCN(C(=O)CCN3CCOCC3)C(C)C2=O)cc1
InChIInChI=1S/C19H27N3O4/c1-15-19(24)22(16-3-5-17(25-2)6-4-16)10-9-21(15)18(23)7-8-20-11-13-26-14-12-20/h3-6,15H,7-14H2,1-2H3
InChIKeyMFGKTEYDKCWLOA-UHFFFAOYSA-N
MW361.44 g/mol
LogP0.98
Rot. Bonds5

About 1-(4-methoxyphenyl)-3-methyl-4-(3-morpholin-4-ylpropanoyl)piperazin-2-one

1-(4-methoxyphenyl)-3-methyl-4-(3-morpholin-4-ylpropanoyl)piperazin-2-one (PubChem CID 70744346) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-methyl-4-(3-morpholin-4-ylpropanoyl)piperazin-2-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-methyl-4-(3-morpholin-4-ylpropanoyl)piperazin-2-one
PubChem CID70744346
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Name1-(4-methoxyphenyl)-3-methyl-4-(3-morpholin-4-ylpropanoyl)piperazin-2-one
SMILESCOc1ccc(N2CCN(C(=O)CCN3CCOCC3)C(C)C2=O)cc1
InChIInChI=1S/C19H27N3O4/c1-15-19(24)22(16-3-5-17(25-2)6-4-16)10-9-21(15)18(23)7-8-20-11-13-26-14-12-20/h3-6,15H,7-14H2,1-2H3
InChIKeyMFGKTEYDKCWLOA-UHFFFAOYSA-N
XLogP0.98
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-4-[2-(2-methoxyethoxy)acetyl]-1-(4-methoxyphenyl)-3-methylpiperazin-2-one
CID 97133156
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 110688472
(3S)-4-[2-(2-ethylimidazol-1-yl)acetyl]-1-(4-methoxyphenyl)-3-methylpiperazin-2-one
CID 97154681
(2R)-4-(4-methoxyphenyl)-2-methyl-N-[(5-methylthiophen-2-yl)methyl]-3-oxopiperazine-1-carboxamide
CID 126434996
(3S)-1-(4-methoxyphenyl)-3-methyl-4-(thiophene-3-carbonyl)piperazin-2-one
CID 96579371
(2R)-4-(4-methoxyphenyl)-2-methyl-N-(4-methylphenyl)-3-oxopiperazine-1-carboxamide
CID 93290901
(2S)-4-(4-methoxyphenyl)-2-methyl-N-[2-(5-methylfuran-2-yl)ethyl]-3-oxopiperazine-1-carboxamide
CID 126430620
1-(4-methoxyphenyl)-3-methyl-4-(3-methylbenzoyl)piperazin-2-one
CID 42847321
1-(4-methoxyphenyl)-3-methyl-4-[(2S)-pyrrolidine-2-carbonyl]piperazin-2-one
CID 141490582
4-(3-chlorobenzoyl)-1-(4-methoxyphenyl)-3-methylpiperazin-2-one
CID 42847320
1-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 70753428
(3S)-4-(5-chloro-2-methylbenzoyl)-1-(4-methoxyphenyl)-3-methylpiperazin-2-one
CID 97135197

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-methyl-4-(3-morpholin-4-ylpropanoyl)piperazin-2-one?
The IUPAC name of 1-(4-methoxyphenyl)-3-methyl-4-(3-morpholin-4-ylpropanoyl)piperazin-2-one (CID 70744346) is 1-(4-methoxyphenyl)-3-methyl-4-(3-morpholin-4-ylpropanoyl)piperazin-2-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-methyl-4-(3-morpholin-4-ylpropanoyl)piperazin-2-one?
The canonical SMILES for 1-(4-methoxyphenyl)-3-methyl-4-(3-morpholin-4-ylpropanoyl)piperazin-2-one is COc1ccc(N2CCN(C(=O)CCN3CCOCC3)C(C)C2=O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-methyl-4-(3-morpholin-4-ylpropanoyl)piperazin-2-one?
The InChIKey is MFGKTEYDKCWLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-15-19(24)22(16-3-5-17(25-2)6-4-16)10-9-21(15)18(23)7-8-20-11-13-26-14-12-20/h3-6,15H,7-14H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-3-methyl-4-(3-morpholin-4-ylpropanoyl)piperazin-2-one?
1-(4-methoxyphenyl)-3-methyl-4-(3-morpholin-4-ylpropanoyl)piperazin-2-one has a molecular weight of 361.44 g/mol, XLogP of 0.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-methyl-4-(3-morpholin-4-ylpropanoyl)piperazin-2-one is sourced from PubChem (CID 70744346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).