1-tert-butyl-4-(3,5-dimethoxybenzoyl)piperazin-2-one

C17H24N2O4 — CID 110867143

IUPAC1-tert-butyl-4-(3,5-dimethoxybenzoyl)piperazin-2-one
SMILESCOc1cc(OC)cc(C(=O)N2CCN(C(C)(C)C)C(=O)C2)c1
InChIInChI=1S/C17H24N2O4/c1-17(2,3)19-7-6-18(11-15(19)20)16(21)12-8-13(22-4)10-14(9-12)23-5/h8-10H,6-7,11H2,1-5H3
InChIKeyLWMLZEBVCKOTDW-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.79
Rot. Bonds3

About 1-tert-butyl-4-(3,5-dimethoxybenzoyl)piperazin-2-one

1-tert-butyl-4-(3,5-dimethoxybenzoyl)piperazin-2-one (PubChem CID 110867143) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-tert-butyl-4-(3,5-dimethoxybenzoyl)piperazin-2-one.

Molecular Properties

Compound Name1-tert-butyl-4-(3,5-dimethoxybenzoyl)piperazin-2-one
PubChem CID110867143
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name1-tert-butyl-4-(3,5-dimethoxybenzoyl)piperazin-2-one
SMILESCOc1cc(OC)cc(C(=O)N2CCN(C(C)(C)C)C(=O)C2)c1
InChIInChI=1S/C17H24N2O4/c1-17(2,3)19-7-6-18(11-15(19)20)16(21)12-8-13(22-4)10-14(9-12)23-5/h8-10H,6-7,11H2,1-5H3
InChIKeyLWMLZEBVCKOTDW-UHFFFAOYSA-N
XLogP1.79
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-tert-butyl-4-(pyridine-4-carbonyl)piperazin-2-one
CID 110873668
1-tert-butyl-4-[2-(4-methoxyphenyl)acetyl]piperazin-2-one
CID 110867147
1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]propan-1-one
CID 32823717
(3,5-dimethoxyphenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 18152981
[4-(3,5-dichlorophenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 113080341
3-methoxy-5-(piperidine-1-carbonyl)benzoic acid
CID 58738055
2-(3,4-dichlorophenyl)-1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-2-methylpropan-1-one
CID 60605931
(3,5-dimethoxyphenyl)-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110726076
4-(3,5-dimethoxybenzoyl)-N-propylpiperazine-1-carboxamide
CID 110365697
2-[4-(3,5-dimethoxybenzoyl)piperazine-1-carbonyl]pyridine-4-carboxylic acid
CID 122055264
[4-(4-chloro-2-methylphenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 110357981
[4-(4-chloro-2,3,5,6-tetrafluorophenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 17335532

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(3,5-dimethoxybenzoyl)piperazin-2-one?
The IUPAC name of 1-tert-butyl-4-(3,5-dimethoxybenzoyl)piperazin-2-one (CID 110867143) is 1-tert-butyl-4-(3,5-dimethoxybenzoyl)piperazin-2-one.
What is the SMILES notation for 1-tert-butyl-4-(3,5-dimethoxybenzoyl)piperazin-2-one?
The canonical SMILES for 1-tert-butyl-4-(3,5-dimethoxybenzoyl)piperazin-2-one is COc1cc(OC)cc(C(=O)N2CCN(C(C)(C)C)C(=O)C2)c1.
What is the InChIKey of 1-tert-butyl-4-(3,5-dimethoxybenzoyl)piperazin-2-one?
The InChIKey is LWMLZEBVCKOTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-17(2,3)19-7-6-18(11-15(19)20)16(21)12-8-13(22-4)10-14(9-12)23-5/h8-10H,6-7,11H2,1-5H3.
What are the key properties of 1-tert-butyl-4-(3,5-dimethoxybenzoyl)piperazin-2-one?
1-tert-butyl-4-(3,5-dimethoxybenzoyl)piperazin-2-one has a molecular weight of 320.39 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(3,5-dimethoxybenzoyl)piperazin-2-one is sourced from PubChem (CID 110867143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).