1-cyclopropyl-4-(3,4,5-trimethoxybenzoyl)piperazin-2-one

C17H22N2O5 — CID 110720744

IUPAC1-cyclopropyl-4-(3,4,5-trimethoxybenzoyl)piperazin-2-one
SMILESCOc1cc(C(=O)N2CCN(C3CC3)C(=O)C2)cc(OC)c1OC
InChIInChI=1S/C17H22N2O5/c1-22-13-8-11(9-14(23-2)16(13)24-3)17(21)18-6-7-19(12-4-5-12)15(20)10-18/h8-9,12H,4-7,10H2,1-3H3
InChIKeyAAYFJWSOHCAAGJ-UHFFFAOYSA-N
MW334.37 g/mol
LogP1.16
Rot. Bonds5

About 1-cyclopropyl-4-(3,4,5-trimethoxybenzoyl)piperazin-2-one

1-cyclopropyl-4-(3,4,5-trimethoxybenzoyl)piperazin-2-one (PubChem CID 110720744) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is 1-cyclopropyl-4-(3,4,5-trimethoxybenzoyl)piperazin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-4-(3,4,5-trimethoxybenzoyl)piperazin-2-one
PubChem CID110720744
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name1-cyclopropyl-4-(3,4,5-trimethoxybenzoyl)piperazin-2-one
SMILESCOc1cc(C(=O)N2CCN(C3CC3)C(=O)C2)cc(OC)c1OC
InChIInChI=1S/C17H22N2O5/c1-22-13-8-11(9-14(23-2)16(13)24-3)17(21)18-6-7-19(12-4-5-12)15(20)10-18/h8-9,12H,4-7,10H2,1-3H3
InChIKeyAAYFJWSOHCAAGJ-UHFFFAOYSA-N
XLogP1.16
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-cyclopropylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 110708525
(4-bromopiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 80656388
(4-methoxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 110725274
cyclopropyl-[4-(3,4,5-trimethoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 110797012
phenyl-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone
CID 1010280
(3,5-dichlorophenyl)-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone
CID 55556525
1-cyclohexyl-4-(3-methoxypyridine-2-carbonyl)piperazin-2-one
CID 56918809
(3Z)-1-cyclopropyl-3-[hydroxy-(3,4,5-trimethoxyphenyl)methylidene]pyrrolidine-2,4-dione
CID 54678867
[3-(methylamino)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 81469626
(4-methylsulfonylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 1148012
(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 110722420
(2-methoxyphenyl)-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone
CID 1072088

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-(3,4,5-trimethoxybenzoyl)piperazin-2-one?
The IUPAC name of 1-cyclopropyl-4-(3,4,5-trimethoxybenzoyl)piperazin-2-one (CID 110720744) is 1-cyclopropyl-4-(3,4,5-trimethoxybenzoyl)piperazin-2-one.
What is the SMILES notation for 1-cyclopropyl-4-(3,4,5-trimethoxybenzoyl)piperazin-2-one?
The canonical SMILES for 1-cyclopropyl-4-(3,4,5-trimethoxybenzoyl)piperazin-2-one is COc1cc(C(=O)N2CCN(C3CC3)C(=O)C2)cc(OC)c1OC.
What is the InChIKey of 1-cyclopropyl-4-(3,4,5-trimethoxybenzoyl)piperazin-2-one?
The InChIKey is AAYFJWSOHCAAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5/c1-22-13-8-11(9-14(23-2)16(13)24-3)17(21)18-6-7-19(12-4-5-12)15(20)10-18/h8-9,12H,4-7,10H2,1-3H3.
What are the key properties of 1-cyclopropyl-4-(3,4,5-trimethoxybenzoyl)piperazin-2-one?
1-cyclopropyl-4-(3,4,5-trimethoxybenzoyl)piperazin-2-one has a molecular weight of 334.37 g/mol, XLogP of 1.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-(3,4,5-trimethoxybenzoyl)piperazin-2-one is sourced from PubChem (CID 110720744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).