4-(3-chloro-5-methoxy-4-propan-2-yloxybenzoyl)piperazin-2-one

C15H19ClN2O4 — CID 31095582

IUPAC4-(3-chloro-5-methoxy-4-propan-2-yloxybenzoyl)piperazin-2-one
SMILESCOc1cc(C(=O)N2CCNC(=O)C2)cc(Cl)c1OC(C)C
InChIInChI=1S/C15H19ClN2O4/c1-9(2)22-14-11(16)6-10(7-12(14)21-3)15(20)18-5-4-17-13(19)8-18/h6-7,9H,4-5,8H2,1-3H3,(H,17,19)
InChIKeyOYYBFOZAUZPYOZ-UHFFFAOYSA-N
MW326.78 g/mol
LogP1.71
Rot. Bonds4

About 4-(3-chloro-5-methoxy-4-propan-2-yloxybenzoyl)piperazin-2-one

4-(3-chloro-5-methoxy-4-propan-2-yloxybenzoyl)piperazin-2-one (PubChem CID 31095582) has the molecular formula C15H19ClN2O4 and a molecular weight of 326.78 g/mol. Its IUPAC name is 4-(3-chloro-5-methoxy-4-propan-2-yloxybenzoyl)piperazin-2-one.

Molecular Properties

Compound Name4-(3-chloro-5-methoxy-4-propan-2-yloxybenzoyl)piperazin-2-one
PubChem CID31095582
Molecular FormulaC15H19ClN2O4
Molecular Weight326.78 g/mol
Exact Mass326.10
IUPAC Name4-(3-chloro-5-methoxy-4-propan-2-yloxybenzoyl)piperazin-2-one
SMILESCOc1cc(C(=O)N2CCNC(=O)C2)cc(Cl)c1OC(C)C
InChIInChI=1S/C15H19ClN2O4/c1-9(2)22-14-11(16)6-10(7-12(14)21-3)15(20)18-5-4-17-13(19)8-18/h6-7,9H,4-5,8H2,1-3H3,(H,17,19)
InChIKeyOYYBFOZAUZPYOZ-UHFFFAOYSA-N
XLogP1.71
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 56777543
1-(3,5-dichloro-4-methoxybenzoyl)-1,4-diazepan-5-one
CID 62047124
1-(3,4,5-trimethoxybenzoyl)-1,4-diazepan-5-one
CID 110727928
4-(4-amino-3,5-dichlorobenzoyl)piperazin-2-one
CID 82832628
4-(3-ethoxy-4-methoxybenzoyl)piperazin-2-one
CID 31095647
[3-chloro-5-methoxy-4-(2-methylpropoxy)phenyl]-piperazin-1-ylmethanone;hydrochloride
CID 119401216
(2R)-1-(3-chloro-5-methoxy-4-propan-2-yloxybenzoyl)pyrrolidine-2-carboxylic acid
CID 125148834
4-(3,5-dichloro-4-methoxybenzoyl)piperazine-2,6-dione
CID 66083921
4-(5-chloro-4-iodo-2-methoxybenzoyl)piperazin-2-one
CID 47169147
4-(3-methoxy-4-nitrobenzoyl)piperazin-2-one
CID 115602215
4-(2,3,4-trimethoxybenzoyl)piperazin-2-one
CID 31096069
[3-chloro-5-methoxy-4-(2-methylpropoxy)phenyl]-piperidin-1-ylmethanone
CID 112759339

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-5-methoxy-4-propan-2-yloxybenzoyl)piperazin-2-one?
The IUPAC name of 4-(3-chloro-5-methoxy-4-propan-2-yloxybenzoyl)piperazin-2-one (CID 31095582) is 4-(3-chloro-5-methoxy-4-propan-2-yloxybenzoyl)piperazin-2-one.
What is the SMILES notation for 4-(3-chloro-5-methoxy-4-propan-2-yloxybenzoyl)piperazin-2-one?
The canonical SMILES for 4-(3-chloro-5-methoxy-4-propan-2-yloxybenzoyl)piperazin-2-one is COc1cc(C(=O)N2CCNC(=O)C2)cc(Cl)c1OC(C)C.
What is the InChIKey of 4-(3-chloro-5-methoxy-4-propan-2-yloxybenzoyl)piperazin-2-one?
The InChIKey is OYYBFOZAUZPYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O4/c1-9(2)22-14-11(16)6-10(7-12(14)21-3)15(20)18-5-4-17-13(19)8-18/h6-7,9H,4-5,8H2,1-3H3,(H,17,19).
What are the key properties of 4-(3-chloro-5-methoxy-4-propan-2-yloxybenzoyl)piperazin-2-one?
4-(3-chloro-5-methoxy-4-propan-2-yloxybenzoyl)piperazin-2-one has a molecular weight of 326.78 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-5-methoxy-4-propan-2-yloxybenzoyl)piperazin-2-one is sourced from PubChem (CID 31095582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).